thiopental

Modify Date: 2026-07-10 18:44:21

thiopental structure	Common Name	thiopental
	CAS Number	76-75-5	Molecular Weight	242.33800
	Density	1.16g/cm3	Boiling Point	N/A
	Molecular Formula	C₁₁H₁₈N₂O₂S	Melting Point	158-160°C
	MSDS	Chinese USA	Flash Point	51.8 °F
	Symbol	GHS02, GHS06, GHS08	Signal Word	Danger

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	thiopental
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.16g/cm3
Melting Point	158-160°C
Molecular Formula	C₁₁H₁₈N₂O₂S
Molecular Weight	242.33800
Exact Mass	242.10900
PSA	90.29000
LogP	2.00750
Index of Refraction	1.544
InChIKey	IUJDSEJGGMCXSG-UHFFFAOYSA-N
SMILES	CCCC(C)C1(CC)C(=O)NC(=S)NC1=O
Storage condition	2-8°C

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

thiopental MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CQ6300000

CHEMICAL NAME :: Barbituric acid, 5-ethyl-5-(1-methylbutyl)-2-thio-

CAS REGISTRY NUMBER :: 76-75-5

BEILSTEIN REFERENCE NO. :: 0209361

LAST UPDATED :: 199612

DATA ITEMS CITED :: 14

MOLECULAR FORMULA :: C11-H18-N2-O2-S

MOLECULAR WEIGHT :: 242.37

WISWESSER LINE NOTATION :: T6VMYMV FHJ CUS FY3&1 F2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 120 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 600 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 110 mg/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 110 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 70 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Parenteral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 90 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 600 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Rectal

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 110 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Parenteral

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 74 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 1020 mg/kg

SEX/DURATION :: female 1-17 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death

MUTATION DATA

TYPE OF TEST :: Cytogenetic analysis

TEST SYSTEM :: Human Leukocyte

DOSE/DURATION :: 1500 mg/L

REFERENCE :: TGANAK Tsitologiya i Genetika. Cytology and Genetics. For English translation, see CYGEDX. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1967- Volume(issue)/page/year: 18(1),13,1984 *** REVIEWS *** TOXICOLOGY REVIEW CLPTAT Clinical Pharmacology and Therapeutics (St. Louis). (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63146) V.1- 1960- Volume(issue)/page/year: 8,91,1967 TOXICOLOGY REVIEW PHREA7 Physiological Reviews. (American Physiological Soc., 9650 Rockville Pike, Bethesda, MD 20814) V.1- 1921- Volume(issue)/page/year: 19,472,1939 TOXICOLOGY REVIEW FNSCA6 Forensic Science. (Lausanne, Switzerland) V.1-11, 1972-78. For pub lisher information, see FSINDR. Volume(issue)/page/year: 2,67,1973

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol	GHS02, GHS06, GHS08
Signal Word	Danger
Hazard Statements	H225-H301-H311-H331-H370
Precautionary Statements	P210-P260-P280-P301 + P310-P311
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xn
Risk Phrases	22
Safety Phrases	S36/37/39
RIDADR	UN 1230 3/PG 2
WGK Germany	3
RTECS	CQ6300000
Packaging Group	III
Hazard Class	6.1(b)
Flash Point(F)	51.8 °F
Flash Point(C)	11 °C

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

thiourea

CAS#:17356-08-0

thiopental

CAS#:76-75-5

Learn More

Literature: Journal of the American Chemical Society, , vol. 57, p. 1961 US2876225 , ;

Pentobarbital

CAS#:76-74-4

thiopental

CAS#:76-75-5

N/A

CAS#:134302-74-2

Learn More

Literature: Pharmazie, , vol. 46, # 2 p. 103 - 105

N/A

CAS#:91334-59-7

thiopental

CAS#:76-75-5

Learn More

Literature: Yakugaku Zasshi, , vol. 75, p. 891 Chem.Abstr., , p. 4979 US2153731 , ;

2-Bromopentane

CAS#:107-81-3

thiopental

CAS#:76-75-5

Learn More

Literature: Yakugaku Zasshi, , vol. 75, p. 891 Chem.Abstr., , p. 4979

2-ethyl-2-cyano...

CAS#:100400-64-4

thiopental

CAS#:76-75-5

Learn More

Literature: Yakugaku Zasshi, , vol. 75, p. 891 Chem.Abstr., , p. 4979

Ethyl(1-methylb...

CAS#:19823-28-0

thiopental

CAS#:76-75-5

Learn More

Literature: Yakugaku Zasshi, , vol. 75, p. 891 Chem.Abstr., , p. 4979

Ethyl 1-methylb...

CAS#:100453-11-0

thiopental

CAS#:76-75-5

Learn More

Literature: Yakugaku Zasshi, , vol. 75, p. 891 Chem.Abstr., , p. 4979

Ethyl 2-cyanobu...

CAS#:1619-58-5

thiopental

CAS#:76-75-5

Learn More

Literature: Yakugaku Zasshi, , vol. 75, p. 891 Chem.Abstr., , p. 4979

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 6
CAS#:76-74-4 Pentobarbital CAS#:107-81-3 2-Bromopentane CAS#:100400-64-4 2-ethyl-2-cyano... CAS#:19823-28-0 Ethyl(1-methylb...
CAS#:100453-11-0 Ethyl 1-methylb... CAS#:1619-58-5 Ethyl 2-cyanobu...
DownStream 1
CAS#:107235-66-5 5-ethyl-2-(3-me...

This table lists relevant public references with title, journal and publication metadata for this compound.

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).

J. Med. Chem. 48 , 3269-79, (2005)

Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm...

Air to lung partition coefficients for volatile organic compounds and blood to lung partition coefficients for volatile organic compounds and drugs.

Eur. J. Med. Chem. 43 , 478-85, (2008)

Values of in vitro gas to lung partition coefficients, K(lung), of VOCs have been collected from the literature. For 44 VOCs, application of the Abraham solvation equation to log K(lung) yielded a cor...

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Ratio of unbound drug level in brain to plasma in Sprague-Dawley rat at 0.2 mg/kg, sc...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3534748

Name: Negative log of molar concentration (-log ED50) required to reduce cell division by 5...
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL645579

Name: Rat Kv3.4 (Voltage-gated potassium channels)
Source: IUPHAR-DB
Target: Kv3.4 (Voltage-gated potassium channels) [Rattus norvegicus]
External Id: 551_Rat

Name: Negative log of molar concentration (-log C) required to produce 50% inhibition of ox...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL776394

Name: Choleostatic liver toxicity, either proven histopathologically or where the ratio of ...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3137727

Name: Ratio of drug level in cerebrospinal fluid to unbound plasma concentration in Sprague...
Source: ChEMBL
Target: Nucleic Acid
External Id: CHEMBL3534425

Name: Severe hepatitis, defined as possibly life-threatening liver failure or through clini...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3137728

Name: Chronic liver disease either proven histopathologically, or through a chonic elevatio...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3137729

Name: Compound is evaluated for ionization constant log k
Source: ChEMBL
Target: N/A
External Id: CHEMBL640133

Name: Cirrhosis, proven histopathologically. Value is number of references indexed. [column...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3137730

Total 79, Current Page 1 of 8

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

Tiopentale

Thiomebumal

THIOPENTONE

Intraval

EINECS 200-984-3

PENTOTHAL ACID

5-Aethyl-5-(1-methyl-butyl)-2-thio-barbitursaeure

THIOPENTAL

Nesdonal

Thiothal

MFCD00057564

5-ethyl-5-(1-methylbutyl)-2-thiobarbituric acid

5-ethyl-5-(1-methyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione

Pentothal

Penthiobarbital

(+/-)-THIOPENTAL

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the molecular weight of thiopental?

A: Molecular weight of thiopental is 242.33800.

Q: What is the English name of thiopental?

A: The English name of thiopental is thiopental.

Q: What are the downstream products of thiopental?

A: Related downstream products(CAS) of thiopental: 107235-66-5.

Q: What is the SMILES notation of thiopental?

A: SMILES notation of thiopental is CCCC(C)C1(CC)C(=O)NC(=S)NC1=O.

Q: What English synonyms does thiopental have?

A: English synonyms of thiopental: Tiopentale, Thiomebumal, THIOPENTONE, Intraval, EINECS 200-984-3, PENTOTHAL ACID, 5-Aethyl-5-(1-methyl-butyl)-2-thio-barbitursaeure, THIOPENTAL, Nesdonal, Thiothal, MFCD00057564, 5-ethyl-5-(1-methylbutyl)-2-thiobarbituric acid, 5-ethyl-5-(1-methyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione, Pentothal, Penthiobarbital, (+/-)-THIOPENTAL.

Q: What are the storage conditions for thiopental?

A: Storage conditions for thiopental: 2-8°C.

Q: What is the molecular formula of thiopental?

A: Molecular formula of thiopental is C11H18N2O2S.

Q: What is the LogP of thiopental?

A: LogP of thiopental is 2.00750.

Q: What is the InChIKey of thiopental?

A: InChIKey of thiopental is IUJDSEJGGMCXSG-UHFFFAOYSA-N.

Q: What is the polar surface area (PSA) of thiopental?

A: Polar surface area (PSA) of thiopental is 90.29000.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Thiopental
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Get all suppliers and price by the below link:

thiopental suppliers

thiopental price

thiopental

Names

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

Safety Information

Synthetic Route

Precursor & DownStream

Articles85

thiopentalBioassay

Synonyms

thiopental | FAQ

thiopentalfactory

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.