2-MERCAPTOIMIDAZOLE

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Names

[ CAS No. ]:
872-35-5

[ Name ]:
2-MERCAPTOIMIDAZOLE

[Synonym ]:
1H-Imidazole-2-thiol
MFCD00005188
2-mercaptoimidazole
1,3-Dihydro-2H-imidazole-2-thione
2H-Imidazole-2-thione, 1,3-dihydro-
imidazolylsulfide
EINECS 212-823-4

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
255.0±23.0 °C at 760 mmHg

[ Melting Point ]:
228-231 °C(lit.)

[ Molecular Formula ]:
C3H4N2S

[ Molecular Weight ]:
100.142

[ Flash Point ]:
108.0±22.6 °C

[ Exact Mass ]:
100.009521

[ PSA ]:
67.48000

[ LogP ]:
0.83

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.653

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NI8515000
CHEMICAL NAME :
Imidazole-2-thiol
CAS REGISTRY NUMBER :
872-35-5
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C3-H4-N2-S
MOLECULAR WEIGHT :
100.15
WISWESSER LINE NOTATION :
T5M CNJ BSH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ WGK Germany ]:
3

[ RTECS ]:
NI8515000

[ HS Code ]:
2933290090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2,2-Dimethoxyethanamine

DownStream

  • Imidazole
  • 1H-Imidazole-2-sulfonyl chloride
  • 2-Phenyl-1H-imidazole
  • 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-6-ol
  • 1-Methyl-2-(Methylthio)iMidazole
  • 2-ethylsulfanyl-1H-imidazole
  • 2-(2-nitrophenyl)sulfanyl-1H-imidazole
  • 1H-Imidazole-2-sulfonyl chloride hydrochloride
  • 2-(4-chloro-2-nitrophenyl)sulfanyl-1H-imidazole
  • 2-(4-fluoro-2-nitrophenyl)sulfanyl-1H-imidazole

Customs

[ HS Code ]: 2933290090

[ Summary ]:
2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • methyl-2-mercaptoimidazole
  • methyl-2-mercaptoimidazole
  • 1-amino-2-mercaptoimidazole
  • 1-methyl-2-mercaptoimidazole
  • 4-Benzyl-2-mercaptoimidazole
  • 1-o-tolyl-2-mercaptoimidazole
  • (2S)-2-amino-3-{[({[(9H-fluoren-9-yl)methoxy]carbonyl}(propyl)amino)sulfonyl]amino}propanoic acid
  • Tert-butyl 3-{[(benzyloxy)carbonyl](4-chloro-1,3,5-triazin-2-yl)amino}piperidine-1-carboxylate
  • (9H-fluoren-9-yl)methyl 3-[(2-bromophenyl)methyl]azetidine-1-carboxylate
  • (9H-fluoren-9-yl)methyl 3-[(3-bromophenyl)methyl]azetidine-1-carboxylate
  • (9H-fluoren-9-yl)methyl 3-(4-bromophenyl)-3-methylazetidine-1-carboxylate
  • tert-butyl N-[2-(dibenzylamino)-3-nitropyridin-4-yl]-N-methylcarbamate
  • benzyl N-[2,3,5-trichloro-6-(trichloromethyl)pyridin-4-yl]carbamate
  • benzyl N-(4-bromo-2-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)carbamate
  • benzyl N-(4-bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)-N-methylcarbamate
  • benzyl N-({1-[(4-iodophenyl)methyl]pyrrolidin-2-yl}methyl)carbamate
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