methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate

Names

[ CAS No. ]:
126335-04-4

[ Name ]:
methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate

[Synonym ]:
2-Propenoic acid,3-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-,methyl ester

Chemical & Physical Properties

[ Density]:
1.35g/cm3

[ Boiling Point ]:
502ºC at 760mmHg

[ Molecular Formula ]:
C12H12N4O2S

[ Molecular Weight ]:
276.31400

[ Flash Point ]:
257.4ºC

[ Exact Mass ]:
276.06800

[ PSA ]:
108.33000

[ LogP ]:
2.01890

[ Vapour Pressure ]:
3.29E-10mmHg at 25°C

[ Index of Refraction ]:
1.655

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UD3010000
CHEMICAL NAME :
2-Propenoic acid, 3-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-, methyl ester
CAS REGISTRY NUMBER :
126335-04-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H12-N4-O2-S
MOLECULAR WEIGHT :
276.34

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
550 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 23,911,1989

Related Compounds

  • 2-(1-{[(Benzyloxy)carbonyl]amino}-3-(methylsulfanyl)cyclobutyl)acetic acid
  • ethyl (3S)-3-amino-3-(1,2,3-thiadiazol-4-yl)propanoate
  • Methyl 3-amino-3-(1-methylcyclopropyl)propanoate
  • 3-Amino-4,4-diethylhexanoic acid
  • Methyl 3-amino-3-(2-methylcyclopropyl)butanoate
  • 3-(Cyclohex-1-en-1-yl)oxolane-3-carboxylic acid
  • Methyl 3-amino-6-(methylsulfanyl)hexanoate
  • Tert-butyl 4-(2-amino-1-carbamoylpropan-2-yl)piperidine-1-carboxylate
  • 2-(4-{[(Benzyloxy)carbonyl]amino}-1-[(tert-butoxy)carbonyl]-3,3-dimethylpiperidin-4-yl)acetic acid
  • (3S)-3-amino-3-(1-ethyl-1H-imidazol-4-yl)propanamide
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