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

Click to get detail 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