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

Modify Date: 2024-04-03 20:01:33

methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate Structure
methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate structure
Common Name methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate
CAS Number 126335-04-4 Molecular Weight 276.31400
Density 1.35g/cm3 Boiling Point 502ºC at 760mmHg
Molecular Formula C12H12N4O2S Melting Point N/A
MSDS N/A Flash Point 257.4ºC

 Names

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

 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

 Synonyms

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