2-Diethylaminoethanethiol

Modify Date: 2025-08-22 16:52:50

2-Diethylaminoethanethiol structure	Common Name	2-Diethylaminoethanethiol
	CAS Number	100-38-9	Molecular Weight	133.255
	Density	0.9±0.1 g/cm3	Boiling Point	161.6±23.0 °C at 760 mmHg
	Molecular Formula	C₆H₁₅NS	Melting Point	127-129 °C(lit.)
	MSDS	N/A	Flash Point	51.5±22.6 °C

Name	2-(diethylamino)ethanethiol
Synonym	More Synonyms

Density	0.9±0.1 g/cm3
Boiling Point	161.6±23.0 °C at 760 mmHg
Melting Point	127-129 °C(lit.)
Molecular Formula	C₆H₁₅NS
Molecular Weight	133.255
Flash Point	51.5±22.6 °C
Exact Mass	133.092514
PSA	42.04000
LogP	1.82
Vapour Pressure	2.3±0.3 mmHg at 25°C
Index of Refraction	1.469
InChIKey	YBDSNEVSFQMCTL-UHFFFAOYSA-N
SMILES	CCN(CC)CCS

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KJ0525000

CHEMICAL NAME :: Ethanethiol, 2-(diethylamino)-

CAS REGISTRY NUMBER :: 100-38-9

BEILSTEIN REFERENCE NO. :: 0773677

LAST UPDATED :: 199612

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C6-H15-N-S

MOLECULAR WEIGHT :: 133.28

WISWESSER LINE NOTATION :: SH2N2&2

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 :: 231 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 13(7),26,1969

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 42500 mg/m3

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 13(7),26,1969

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 96 mg/kg

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

REFERENCE :: BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 14,289,1965

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 120 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 109,108,1957 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 1 mg/m3;Skin JAN 1993

Hazard Codes	Xi
Risk Phrases	R22:Harmful if swallowed.
Safety Phrases	S22-S24/25
WGK Germany	3
RTECS	JP1185000
HS Code	2942000000

Precursor 9
CAS#:100-35-6 2-Chloro-N,N-di... CAS#:420-12-2 Thiirane CAS#:816-43-3 lithium,diethyl... CAS#:109-89-7 Diethylamine
CAS#:100-37-8 2-(Diethylamino... CAS#:55847-36-4 S-(2-chloroethy... CAS#:5842-22-8 thiocarbonic ac... CAS#:5978-05-2 Butylcarbamidsa...
CAS#:64-17-5 Ethanol
DownStream 10
CAS#:14441-55-5 Benzenecarbothi... CAS#:4358-87-6 (±)-methyl mandelate CAS#:23713-11-3 Phosphorodithio... CAS#:589-32-2 2,2'''-Dithiobi...
CAS#:15904-54-8 2-(diethylamino... CAS#:115986-18-0 N,N-diethyl-2-(... CAS#:7708-55-6 2-benzylsulfany... CAS#:78-53-5 amiton
CAS#:82-99-5 S-[2-(diethylam... CAS#:88873-85-2 3-[2-(diethylam...

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%

Name: QC Inhibition Testing from Article 10.1021/bi051142e: "Isolation, catalytic propertie...
Source: BindingDB
Target: N/A
External Id: BindingDB_998_1

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose

Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose

Total 3, Current Page 1 of 1

Diethylcysteamine

2-Diethylaminoethyl mercaptan

MFCD00066258

Diethylcysteamin

Ethanethiol,2-(diethylamino)

Triethylamine,2-mercapto

2-(N,N-Diethylamino)ethylthiol

Diethyl(2-mercaptoethyl)amine

EINECS 202-846-8

N-Diaethyl cysteamin

2-(N,N-diethylamino)ethanethiol

2-(Diethylamino)ethanethiol

2-(diethylamine)ethanethiol

2-Diethylaminoethanethiol

Diethylaminoethanethiol

HS(CH2)2N(Et)2

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2-Diethylaminoethanethiol

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Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

2-DiethylaminoethanethiolBioassay

Synonyms

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.