3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-1-phenylprop-2-en-1-one
Names
[ CAS No. ]:
126335-03-3
[ Name ]:
3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-1-phenylprop-2-en-1-one
[Synonym ]:
4-amino-3-benzoylvinylthio-1,2,4-triazole
2-Propen-1-one,3-[(4-amino-4H-1,2,4-triazol-3-yl)thio]-1-phenyl
Chemical & Physical Properties
[ Density]:
1.35g/cm3
[ Boiling Point ]:
469.1ºC at 760 mmHg
[ Molecular Formula ]:
C11H10N4OS
[ Molecular Weight ]:
246.28800
[ Flash Point ]:
237.5ºC
[ Exact Mass ]:
246.05800
[ PSA ]:
99.10000
[ LogP ]:
2.06180
[ Vapour Pressure ]:
5.64E-09mmHg at 25°C
[ Index of Refraction ]:
1.682
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UD5572400
- CHEMICAL NAME :
- 2-Propen-1-one, 3-((4-amino-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-
- CAS REGISTRY NUMBER :
- 126335-03-3
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C11-H10-N4-O-S
- MOLECULAR WEIGHT :
- 246.31
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 :
- 23 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