2-Diethylaminoethanethiol

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Names

[ CAS No. ]:
100-38-9

[ Name ]:
2-Diethylaminoethanethiol

[Synonym ]:
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
Ethanethiol, 2- (diethylamino)-
2-(diethylamine)ethanethiol
2-Diethylaminoethanethiol
Ethanethiol, 2-(diethylamino)-
Diethylaminoethanethiol
HS(CH2)2N(Et)2

Chemical & Physical Properties

[ 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

Toxicological Information

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

Safety Information

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R22:Harmful if swallowed.

[ Safety Phrases ]:
S22-S24/25

[ WGK Germany ]:
3

[ RTECS ]:
JP1185000

[ HS Code ]:
2942000000

Synthetic Route

Precursor & DownStream

Precursor

  • 2-Chloro-N,N-diethylethanamine
  • Thiirane
  • lithium,diethylazanide
  • Diethylamine
  • 2-(Diethylamino)ethanol
  • S-(2-chloroethyl) ethanethioate
  • thiocarbonic acid O-ethyl ester-S-(2-hydroxy-ethyl ester)
  • Butylcarbamidsaeure-[2-mercapto-aethylester]
  • Ethanol

DownStream

  • Benzenecarbothioicacid, S-[2-(diethylamino)ethyl] ester
  • (±)-methyl mandelate
  • Phosphorodithioic acid,S-[2-(diethylamino)ethyl] O,O-diethyl ester
  • 2,2'''-Dithiobistriethylamine
  • 2-(diethylamino)ethanesulfonic acid
  • N,N-diethyl-2-(2-methylpropylsulfanyl)ethanamine
  • 2-benzylsulfanyl-N,N-diethylethanamine
  • amiton
  • S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate
  • 3-[2-(diethylamino)ethylsulfanyl]-2-methyl-1-phenylpropan-1-one

Customs

[ 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%


Related Compounds

  • 2-DIETHYLAMINOETHANETHIOL HYDROCHLORIDE
  • 2-Diethylaminoethanethiol hydrochloride
  • 2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline
  • 2-[(4-aminobenzoyl)-benzylamino]ethyl-diethylazanium,chloride
  • 2-methyl-2-methylsulfanylpropanenitrile
  • 2-((4-(1-METHYL-4-(PYRIDIN-4-YL)-1H-PYRAZOL-3-YL)PHENOXY)METHYL)QUINOLINE SUCCINATE