4(3H)-Pyrimidinone,3-(2-methylphenyl)-2-(methylthio)-

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Names

[ CAS No. ]:
80306-55-4

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

[Synonym ]:
3-(2-methylphenyl)-2-methylthio-4(3H)-pyrimidinone
3-('-Methylphenyl)-2-methylmercapto-4-(3H)pyrimidone

Chemical & Physical Properties

[ Molecular Formula ]:
C12H12N2OS

[ Molecular Weight ]:
232.30100

[ Exact Mass ]:
232.06700

[ PSA ]:
60.19000

[ LogP ]:
2.26280

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UW7533535
CHEMICAL NAME :
4(3H)-Pyrimidinone, 3-(2-methylphenyl)-2-(methylthio)-
CAS REGISTRY NUMBER :
80306-55-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H12-N2-O-S
MOLECULAR WEIGHT :
232.32

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 :
>600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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

Precursor & DownStream

Precursor

  • methyl N'-(2-methylphenyl)carbamimidothioate
  • Ethyl propiolate
  • 1-(2-Methylphenyl)thiourea
  • Usaf k-1471
  • o-Toluidine
  • 3-(2'-Methylphenyl)-2-methylmercapto-4-(3H)pyrimidone-5-carboxylic acid
  • ethyl 1-(2-methylphenyl)-2-methylsulfanyl-6-oxo-pyrimidine-5-carboxylate

DownStream


Related Compounds

  • [3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-chromen-7-yl] 4-fluorobenzenesulfonate
  • 2-(7-isobutyl-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(2-phenylethyl)acetamide
  • N-(1,3-benzothiazol-2-yl)-2-(7-isobutyl-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-acetamide
  • 7-isobutyl-1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione
  • 2-(7-butyl-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
  • N-(4-acetamidophenyl)-2-(7-cyclopentyl-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-acetamide
  • 2-(7-cyclohexyl-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
  • 2-(7-cyclohexyl-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
  • N-(3-acetamidophenyl)-2-(7-cyclohexyl-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-acetamide
  • 3,4-Dibromostyrene
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