HCID13107770

[(4-Chlorobutyl)sulfanyl]benzene

4-chlorobutylsulfanylbenzene

C10H13ClS200.73 g/molCAS 14633-31-9

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IDENTITY

结构与身份

标准SMILES: ClCCCCSc1ccccc1
InChIKey: OMSCMJGUCKTCEA-UHFFFAOYSA-N
分子式: C10H13ClS
平均分子量: 200.73 g/mol
单同位素质量: 200.0426493

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 25.3 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 5
重原子: 12
形式电荷: 0
复杂度: 100

ALIASES

名称与别名

共 13 条

[(4-chlorobutyl)sulfanyl]benzene14633-31-9Benzene, [(4-chlorobutyl)thio]-4-phenylthiobutyl chloride4-chlorobutyl phenyl sulfide1-phenylthio-4-chloro-butane4-chloro-butylsulfanyl-benzeneSCHEMBL3394436Benzene,[(4-chlorobutyl)thio]-DTXSID20518379OMSCMJGUCKTCEA-UHFFFAOYSA-NAKOS011019413EN300-674418

REACTIONS

参与反应

15 条

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-1999_01 · 10.6084/m9.figshare.5104873.v1 · US05864039

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uspto-grants-1977_12 · 10.6084/m9.figshare.5104873.v1 · US04065584

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-2006_06 · 10.6084/m9.figshare.5104873.v1 · US07067534B1

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