HCID4439313

2-(Methylthio)-5-nitropyridine

2-methylsulfanyl-5-nitropyridine

C6H6N2O2S170.19 g/molCAS 20885-21-6

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IDENTITY

结构与身份

标准SMILES: CSc1ccc([N+](=O)[O-])cn1
InChIKey: SUATXLIQPPUGPW-UHFFFAOYSA-N
分子式: C6H6N2O2S
平均分子量: 170.19 g/mol
单同位素质量: 170.01499861

COMPUTED

结构计算性质

等待补全

XLogP: 2.1
极性表面积: 84 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 1
重原子: 11
形式电荷: 0
复杂度: 148

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 21 条

2-(methylthio)-5-nitropyridine20885-21-62-methylsulfanyl-5-nitropyridine2-methylsulfanyl-5-nitro-pyridine2-(METHYLSULFANYL)-5-NITROPYRIDINEMFCD019284845-Nitro-2-methylthiopyridinePyridine, 2-(methylthio)-5-nitro-2-methylthio-5-nitro-pyridineSCHEMBL14925383-nitro-6-(methylthio)pyridineDTXSID80403318pyridine, 2-methylthio-5-nitro-SUATXLIQPPUGPW-UHFFFAOYSA-N5-nitro-2-(methylsulfanyl)pyridineAKOS006240707BS-42165SY342199H59618AJ-333/36120004

REACTIONS

参与反应

16 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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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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uspto-grants-2015_12 · 10.6084/m9.figshare.5104873.v1 · US09221793B2

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uspto-grants-2015_07 · 10.6084/m9.figshare.5104873.v1 · US09079876B2

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uspto-grants-2015_07 · 10.6084/m9.figshare.5104873.v1 · US09079876B2

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uspto-grants-1983_11 · 10.6084/m9.figshare.5104873.v1 · US04415566

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