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

Synthetic Route

Precursor & DownStream


Related Compounds