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

  • 5-[3-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]pyridine-2-carboxylic acid
  • Tert-butyl 3-(1-hydroxy-4,4-dimethylcycloheptyl)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
  • 3-[3-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]-4-iodobenzoic acid
  • 3-(2-Cyclopropylphenyl)-2,2-dimethylpropanoic acid
  • 2-(4-Bromo-3-fluorophenyl)-2-methyloxirane
  • 1-methyl-3-(4-methylpyrimidin-5-yl)-1H-pyrazol-5-amine
  • 3-(4,4-Dimethylcyclohexyl)but-3-en-1-amine
  • 1-[1-(1-methyl-2,3-dihydro-1H-indol-5-yl)cyclopropyl]ethan-1-one
  • methyl (3R)-3-hydroxy-3-(4-methylpyrimidin-5-yl)propanoate
  • 1-[2-(2-Cyclopropylphenyl)ethyl]cyclopropan-1-ol
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