4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)-

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Names

[ CAS No. ]:
89069-33-0

[ Name ]:
4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)-

Chemical & Physical Properties

[ Density]:
1.36g/cm3

[ Boiling Point ]:
366.8ºC at 760 mmHg

[ Molecular Formula ]:
C12H9F3N2OS

[ Molecular Weight ]:
286.27300

[ Flash Point ]:
175.6ºC

[ Exact Mass ]:
286.03900

[ PSA ]:
60.19000

[ LogP ]:
2.97320

[ Index of Refraction ]:
1.567

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UW7538200
CHEMICAL NAME :
4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)-
CAS REGISTRY NUMBER :
89069-33-0
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H9-F3-N2-O-S
MOLECULAR WEIGHT :
286.29

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 22,789,1983

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • methyl N'-[3-(trifluoromethyl)phenyl]carbamimidothioate
  • Ethyl propiolate

DownStream

Related Compounds

  • 2-[(Cyclohexylmethyl)amino]-4-methylpentan-1-ol
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 1-Bromo-4-{2-[4-(methylthio)phenyl]vinyl}benzene
  • 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
  • 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