Thiobenzamide

Modify Date: 2026-07-01 10:16:37

Thiobenzamide structure	Common Name	Thiobenzamide
	CAS Number	2227-79-4	Molecular Weight	137.202
	Density	1.2±0.1 g/cm3	Boiling Point	245.0±23.0 °C at 760 mmHg
	Molecular Formula	C₇H₇NS	Melting Point	113-117 °C(lit.)
	MSDS	Chinese USA	Flash Point	102.0±22.6 °C
	Symbol	GHS06	Signal Word	Danger

Summary: Benzenecarbothioamide (Thiobenzamide), CAS号2227-79-4, molecular formula C7H7NS, molecular weight 137.202, is a pale yellow-green crystalline powder. Physical properties include melting point 113-117°C, boiling point 245.0±23.0°C, and density 1.2±0.1g/cm3. For research-use only, not for medical or clinical usage.

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

Name	benzenecarbothioamide
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	1.2±0.1 g/cm3
Boiling Point	245.0±23.0 °C at 760 mmHg
Melting Point	113-117 °C(lit.)
Molecular Formula	C₇H₇NS
Molecular Weight	137.202
Flash Point	102.0±22.6 °C
Exact Mass	137.029922
PSA	58.11000
LogP	1.49
Vapour Pressure	0.0±0.5 mmHg at 25°C
Index of Refraction	1.653
InChIKey	QIOZLISABUUKJY-UHFFFAOYSA-N
SMILES	NC(=S)c1ccccc1

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

Thiobenzamide MSDS(Chinese)

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CV5860000

CHEMICAL NAME :: Benzamide, thio-

CAS REGISTRY NUMBER :: 2227-79-4

LAST UPDATED :: 199806

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C7-H7-N-S

MOLECULAR WEIGHT :: 137.21

WISWESSER LINE NOTATION :: ZYR&US

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 95 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 :: 500 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 :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 6300 mg/kg/15W-C

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - multiple effects Liver - tumors

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 13 gm/kg/38W-C

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 13300 mg/kg/38W-C

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors

MUTATION DATA

TEST SYSTEM :: Rodent - mouse

DOSE/DURATION :: 180 umol/kg

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 192,141,1987

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

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H301
Precautionary Statements	P301 + P310
Personal Protective Equipment	Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes	Xn:Harmful;
Risk Phrases	R25
Safety Phrases	S45
RIDADR	UN 2811 6.1/PG 3
WGK Germany	3
RTECS	CV5860000
Packaging Group	III
Hazard Class	6.1
HS Code	2930909090

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

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code	2930909090
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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

Cytotoxic activity of 3-(5-phenyl-3H-[1,2,4]dithiazol-3-yl)chromen-4-ones and 4-oxo-4H-chromene-3-carbothioic acid N-phenylamides.

Eur. J. Med. Chem. 45 , 790-4, (2010)

6/6,7-Substituted-3-formylchromones (8a-g) were reacted with 2 equivalents thiobenzamide (9) in refluxing toluene to furnish substituted-3-(5-phenyl-3H-[1,2,4]dithiazol-3-yl)chromen-4-ones (10a-g) in ...

Potent inhibition of alcohol self-administration in alcohol-preferring rats by a κ-opioid receptor antagonist.

J. Pharmacol. Exp. Ther. 350(1) , 171-80, (2014)

A substituted aryl amide derivative of 6-naltrexamine--17-cyclopropylmethyl-3,14β-dihydroxy-4,5α-epoxy-6β-[(4'-trimethylfluoro)benzamido]morphinan-hydrochloride--(compound 5), previously shown to be a...

Facile synthesis of nitriles via manganese oxide promoted oxidative dehydrosulfurization of primary thioamides.

Chem. Commun. (Camb.) 48(91) , 11247-9, (2012)

In the presence of manganese oxides, dehydrosulfurization of various kinds of primary thioamides including aromatic, heterocyclic, and aliphatic ones efficiently proceeded to give the corresponding ni...

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

Name: Drug degradation in phosphate buffer assessed as H2S release by measuring test compou...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4191701

Name: Drug degradation in phosphate buffer assessed as H2S release by measuring H2S Cmax at...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4191702

Name: Inhibition of tyrosinase in mouse B16F10 cells assessed as reduction of melanin produ...
Source: ChEMBL
Target: Tyrosinase
External Id: CHEMBL3743604

Name: Cytotoxicity against mouse B16F10 cells assessed as cell survival at 50 uM after 48 h...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3743603

Name: Binding affinity to mushroom tyrosinase assessed as fluorescence quenching
Source: ChEMBL
Target: Polyphenol oxidase 2
External Id: CHEMBL3743602

Name: Inhibition of tyrosinase in mouse B16F10 cell lysates using DOPA as substrate relativ...
Source: ChEMBL
Target: Tyrosinase
External Id: CHEMBL3743607

Name: Inhibition of tyrosinase in mouse B16F10 cells assessed as reduction of melanin produ...
Source: ChEMBL
Target: Tyrosinase
External Id: CHEMBL3743606

Name: Release of H2S in buffer at 0.5 to 3 mM measured for 24 hrs by lead acetate method
Source: ChEMBL
Target: N/A
External Id: CHEMBL5350603

Name: Inhibition of tyrosinase in mouse B16F10 cells assessed as reduction of melanin produ...
Source: ChEMBL
Target: Tyrosinase
External Id: CHEMBL3743605

Name: Antipruritic effect in mouse assessed as reduction in histamine-induced itching durat...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL5350618

Total 10, Current Page 1 of 1

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

Benzenecarbothioamide

EINECS 218-765-6

phenylthioamide

MFCD00008060

Benzamide,thio

Benzenecarbimidothioic acid

aminophenylmethane-1-thione

Thiobenzamide

Benzenecarboximidothioic acid

Benzothioamide

Benzothiamide

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

Q: What is the English name of benzenecarbothioamide?

A: The English name of benzenecarbothioamide is benzenecarbothioamide.

Q: What is the LogP of benzenecarbothioamide?

A: LogP of benzenecarbothioamide is 1.49.

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

A: Polar surface area (PSA) of benzenecarbothioamide is 58.11000.

Q: What is the InChIKey of benzenecarbothioamide?

A: InChIKey of benzenecarbothioamide is QIOZLISABUUKJY-UHFFFAOYSA-N.

Q: What is the safety information for benzenecarbothioamide?

A: Safety information for benzenecarbothioamide: S45.

Q: What is the CAS number of benzenecarbothioamide?

A: CAS number of benzenecarbothioamide is 2227-79-4.

Q: What is the molecular formula of benzenecarbothioamide?

A: Molecular formula of benzenecarbothioamide is C7H7NS.

Q: What is the boiling point of benzenecarbothioamide?

A: Boiling point of benzenecarbothioamide is 245.0±23.0 °C at 760 mmHg.

Q: What is the SMILES notation of benzenecarbothioamide?

A: SMILES notation of benzenecarbothioamide is NC(=S)c1ccccc1.

Q: What English synonyms does benzenecarbothioamide have?

A: English synonyms of benzenecarbothioamide: Benzenecarbothioamide, EINECS 218-765-6, phenylthioamide, MFCD00008060, Benzamide,thio, Benzenecarbimidothioic acid, aminophenylmethane-1-thione, Thiobenzamide, Benzenecarboximidothioic acid, Benzothioamide, Benzothiamide.

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

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) 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: Thiobenzamide
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Benzenecarbothioamide
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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Thiobenzamide

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