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

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 4,4-Dimethyl-1-(2-methyl-1,3-thiazol-5-yl)cyclohex-2-en-1-ol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide