HCID22747495

5-(3,5-dichloro-phenylsulphanyl)-1-ethyl-3-methyl-1H-pyrazole-4-carbaldehyde

5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-3-methylpyrazole-4-carbaldehyde

C13H12Cl2N2OS315.2 g/molCAS 412327-40-3

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IDENTITY

结构与身份

标准SMILES: CCn1nc(C)c(C=O)c1Sc1cc(Cl)cc(Cl)c1
InChIKey: PCSXDBXFTKBKRQ-UHFFFAOYSA-N
分子式: C13H12Cl2N2OS
平均分子量: 315.2 g/mol
单同位素质量: 314.0047396

COMPUTED

结构计算性质

等待补全

XLogP: 4.1
极性表面积: 60.2 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 4
重原子: 19
形式电荷: 0
复杂度: 311

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 7 条

SCHEMBL5643543PCSXDBXFTKBKRQ-UHFFFAOYSA-NDTXSID5011457315-(3,5-dichloro-phenylsulphanyl)-1-ethyl-3-methyl-1H-pyrazole-4-carbaldehyde412327-40-35-[(3,5-Dichlorophenyl)sulfanyl]-1-ethyl-3-methyl-1H-pyrazole-4-carbaldehyde5-[(3,5-Dichlorophenyl)thio]-1-ethyl-3-methyl-1H-pyrazole-4-carboxaldehyde

REACTIONS

相关反应

6 条

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

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

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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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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