HCID181237

1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)pyridine-4-thione

1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridine-4-thione

C19H14F3NS345.4 g/molCAS 59758-02-0

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IDENTITY

结构与身份

标准SMILES: Cn1cc(-c2ccccc2)c(=S)c(-c2cccc(C(F)(F)F)c2)c1
InChIKey: MGVVCRMNSFVLTM-UHFFFAOYSA-N
分子式: C19H14F3NS
平均分子量: 345.4 g/mol
单同位素质量: 345.07990511

COMPUTED

结构计算性质

已同步

XLogP: 3.8
极性表面积: 35.3 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 2
重原子: 24
形式电荷: 0
复杂度: 543

ALIASES

名称与别名

共 6 条

1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)pyridine-4-thione59758-02-0SCHEMBL11175165DTXSID902084921-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridine-4(1H)-thione1-methyl-3-phenyl-5-(3-trifluoromethylphenyl)-4(1H)-pyridinethione

REACTIONS

参与反应

3 条

uspto-grants-1979_11 · 10.6084/m9.figshare.5104873.v1 · US04174209

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-1980_08 · 10.6084/m9.figshare.5104873.v1 · US04218238

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