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

3-(2-methylphenyl)-2-(methylthio)-4(3H)-Pyrimidinone 基本信息
CAS号 80306-55-4 分子式 C12H12N2OS
分子量 232.30100 精确质量  232.06700
PSA  60.19000 LogP  2.26280

基本信息 展开↓

CAS号:
80306-55-4
3D弹球模型:
立即前往扯扯看
分子式:
C12H12N2OS
分子量:
232.30100
中文名称:
3-(2-methylphenyl)-2-(methylthio)-4(3H)-Pyrimidinone
英文名称:
3-(2-methylphenyl)-2-(methylthio)-4(3H)-Pyrimidinone
中文别名:
3-(2-methylphenyl)-2-(methylthio)-4(3H)-Pyrimidinone
英文别名:
3-(2-methylphenyl)-2-(methylthio)-4(3H)-Pyrimidinone;
3-(2-methylphenyl)-2-methylthio-4(3H)-pyrimidinone;
3-('-Methylphenyl)-2-methylmercapto-4-(3H)pyrimidone
精确分子量/精确质量:
232.06700
极性分子表面积/PSA:
60.19000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: YGZIRFYZUCMQEH-UHFFFAOYSA-N

合成路线查看所有的合成路线

  • 80306-60-1

    methyl N'-(2-methylphenyl)carbamimidothioate

  • +

  • 623-47-2

    丙炔酸乙酯

  • ~68%

  • 80306-55-4

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

  • 82636-27-9

    3-(2'-Methylphenyl)-2-methylmercapto-4-(3H)pyrimidone-5-carboxylic acid

  • ~24%

  • 80306-55-4

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

  • 82636-16-6

    ethyl 1-(2-methylphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate

  • 80306-55-4

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

毒理性展开↓

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

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  • 80306-60-1

    methyl N'-(2-methylphenyl)carbamimidothioate

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  • 614-78-8

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