HCID3852091

2-methylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one

C7H6N2OS2198.3 g/molCAS 309976-36-1

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IDENTITY

结构与身份

标准SMILES: CSc1nc2sccc2c(=O)[nH]1
InChIKey: JPLWQKCXBSLMLB-UHFFFAOYSA-N
分子式: C7H6N2OS2
平均分子量: 198.3 g/mol
单同位素质量: 197.99215517

COMPUTED

结构计算性质

已同步

XLogP: 1.7
极性表面积: 95 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 242

ALIASES

名称与别名

共 21 条

309976-36-12-methylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one2-(methylthio)thieno[2,3-d]pyrimidin-4(1H)-one2-(methylthio)thieno[2,3-d]pyrimidin-4-ol2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4-ol2-(methylthio)thieno[2,3-d]pyrimidin-4(3H)-oneMLS000736333SCHEMBL3265242SCHEMBL8234838CHEMBL1564603DTXSID60397327JPLWQKCXBSLMLB-UHFFFAOYSA-NHMS2652I15MFCD03011935AKOS006238094AKOS015852602SMR000338283DB-0683978R-1322F445684

REACTIONS