HCID170737

2-Nitro-5-phenylthioaniline

2-nitro-5-phenylsulfanylaniline

C12H10N2O2S246.29 g/molCAS 43156-47-4

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IDENTITY

结构与身份

标准SMILES: Nc1cc(Sc2ccccc2)ccc1[N+](=O)[O-]
InChIKey: AJGJUXSVUPXOHL-UHFFFAOYSA-N
分子式: C12H10N2O2S
平均分子量: 246.29 g/mol
单同位素质量: 246.04629874

COMPUTED

结构计算性质

已同步

XLogP: 3.3
极性表面积: 97.1 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 2
重原子: 17
形式电荷: 0
复杂度: 264

USES

用途与制造

来源：PubChem

General Manufacturing Information

Benzenamine, 2-nitro-5-(phenylthio)-: INACTIVE

ALIASES

名称与别名

共 34 条

2-Nitro-5-(phenylthio)aniline2-Nitro-5-phenylthioanilineBenzenamine, 2-nitro-5-(phenylthio)-2-Nitro-5-(phenylthio)benzenamineSE56M5KS9TDTXSID4068458RefChem:197896DTXCID704023543156-47-42-nitro-5-(phenylsulfanyl)aniline2-nitro-5-phenylsulfanylanilineMFCD001298354-Phenylthio-2-aminonitrobenzene5-Phenylthio-2-nitroaniline5-phenylthio-2-nitro anilineEINECS 256-121-62-Nitro-5-(phenylthio)-benzenamine; 1-Amino-2-nitro-5-phenylthiobenzene; 2-Amino-4-phenylthio-1-nitrobenzeneUNII-SE56M5KS9TSCHEMBL24193942-nitro-5-phenylsulfanyl-aniline

REACTIONS

参与反应

25 条

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

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uspto-grants-1977_03 · 10.6084/m9.figshare.5104873.v1 · US04011320

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uspto-grants-1977_03 · 10.6084/m9.figshare.5104873.v1 · US04011320

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uspto-grants-1978_02 · 10.6084/m9.figshare.5104873.v1 · US04072696

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uspto-grants-1978_02 · 10.6084/m9.figshare.5104873.v1 · US04072696

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uspto-grants-1978_02 · 10.6084/m9.figshare.5104873.v1 · US04072696

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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 (3/10) · 10.1039/C8SC04228D

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