HCID22747520

5-(3,5-dichloro-phenylsulphanyl)-1-ethyl-3-methyl-1H-pyrazol-4-yl-methanol

[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-yl]methanol

C13H14Cl2N2OS317.2 g/mol

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IDENTITY

结构与身份

标准SMILES: CCn1nc(C)c(CO)c1Sc1cc(Cl)cc(Cl)c1
InChIKey: GFYZHISKNQGMMO-UHFFFAOYSA-N
分子式: C13H14Cl2N2OS
平均分子量: 317.2 g/mol
单同位素质量: 316.0203896

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 63.4 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 4
重原子: 19
形式电荷: 0
复杂度: 288

ALIASES

名称与别名

共 6 条

SCHEMBL5640650GFYZHISKNQGMMO-UHFFFAOYSA-N[5-(3,5-dichloro-phenylsulphanyl)-1-ethyl-3-methyl-1H-pyrazol-4-yl-]methanol[5-(3,5-dichloro-phenylsulphanyl)-1-ethyl-3-methyl-1H-pyrazol-4-yl]-methanol5-(3,5-dichloro-phenylsulphanyl)-1 -ethyl-3-methyl-1H-pyrazol-4-yl-methanol5-(3,5-dichloro-phenylsulphanyl)-1-ethyl-3-methyl-1H-pyrazol-4-yl-methanol

REACTIONS

相关反应

4 条

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06699887B2

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-2007_02 · 10.6084/m9.figshare.5104873.v1 · US07183296B2

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uspto-grants-2007_02 · 10.6084/m9.figshare.5104873.v1 · US07183296B2

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