4-benzyl-2-(2,2-dimethylthian-4-yl)-5-phenyl-4H-pyrazol-3-one
Names
[ CAS No. ]:
102689-18-9
[ Name ]:
4-benzyl-2-(2,2-dimethylthian-4-yl)-5-phenyl-4H-pyrazol-3-one
[Synonym ]:
3H-Pyrazol-3-one,2,4-dihydro-5-phenyl-4-(phenylmethyl)-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)
Chemical & Physical Properties
[ Molecular Formula ]:
C23H26N2OS
[ Molecular Weight ]:
378.53000
[ Exact Mass ]:
378.17700
[ PSA ]:
57.97000
[ LogP ]:
4.13950
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UR0481000
- CHEMICAL NAME :
- 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-4-(phenylmethyl)-2-(tetrahydro-2 ,2-dimethyl-2H- thiopyran-4-yl)-
- CAS REGISTRY NUMBER :
- 102689-18-9
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C23-H26-N2-O-S
- MOLECULAR WEIGHT :
- 378.57
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >450 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: 19,470,1985