HCID355810

4-Chloro-6-(3-methoxyphenyl)-2-(methylthio)pyrimidine-5-carbonitrile

4-chloro-6-(3-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile

C13H10ClN3OS291.76 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cccc(-c2nc(SC)nc(Cl)c2C#N)c1
InChIKey: NUVVEHIZUGPZHQ-UHFFFAOYSA-N
分子式: C13H10ClN3OS
平均分子量: 291.76 g/mol
单同位素质量: 291.0233108

COMPUTED

结构计算性质

等待补全

XLogP: 3.4
极性表面积: 84.1 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 3
重原子: 19
形式电荷: 0
复杂度: 348

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 16 条

4-chloro-6-(3-methoxyphenyl)-2-(methylthio)pyrimidine-5-carbonitrile128666-82-0NSC610184CHEMBL315544SCHEMBL4420483NUVVEHIZUGPZHQ-UHFFFAOYSA-N4-chloro-6-(3-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrileMFCD30480782NSC-610184CS-0179799E82207F6240406-Chloro-5-cyano-4-(3-methoxyphenyl)-2-methylthio-pyrimidine6-chloro-5-cyano4-(3-methoxyphenyl)-2-methylthio-pyrimidine4-chloro-6-(3-methoxyphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile5-PYRIMIDINECARBONITRILE,4-CHLORO-6-(3-METHOXYPHENYL)-2-(METHYLTHIO)-(WXG01918)

REACTIONS

参与反应

4 条

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2007_06 · 10.6084/m9.figshare.5104873.v1 · US07229990B2

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uspto-grants-2007_06 · 10.6084/m9.figshare.5104873.v1 · US07229990B2

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