HCID654246

5-(4-Fluoro-phenyl)-3-methylsulfanyl-[1,2,4]triazine

5-(4-fluorophenyl)-3-methylsulfanyl-1,2,4-triazine

C10H8FN3S221.26 g/mol

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IDENTITY

结构与身份

标准SMILES: CSc1nncc(-c2ccc(F)cc2)n1
InChIKey: PLFFPXGECLXPAY-UHFFFAOYSA-N
分子式: C10H8FN3S
平均分子量: 221.26 g/mol
单同位素质量: 221.0422966

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 64 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 2
重原子: 15
形式电荷: 0
复杂度: 197

ALIASES

名称与别名

共 15 条

MLS000073623SCHEMBL23263155-(4-Fluoro-phenyl)-3-methylsulfanyl-[1,2,4]triazineCHEMBL1327367PLFFPXGECLXPAY-UHFFFAOYSA-NHMS2289F11AKOS000637214CCG-112652SMR000012838DB-185310EU-00460705-(p-fluorophenyl)-3-(methylthio)-1,2,4-triazine5-(4-Fluorophenyl)-3-(methylthio)-1,2,4-triazine3-(Methylsulfanyl)-5-(4-fluorophenyl)-1,2,4-triazine71347-48-3

REACTIONS

参与反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-1979_06 · 10.6084/m9.figshare.5104873.v1 · US04159375

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uspto-grants-2016_02 · 10.6084/m9.figshare.5104873.v1 · US09249130B2

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uspto-grants-2014_08 · 10.6084/m9.figshare.5104873.v1 · US08809525B2

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