HCID104677

4-Amino-3-nitrophenyl thiocyanate

(4-amino-3-nitrophenyl) thiocyanate

C7H5N3O2S195.2 g/molCAS 54029-45-7

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IDENTITY

结构与身份

标准SMILES: N#CSc1ccc(N)c([N+](=O)[O-])c1
InChIKey: QUWHIBBGKKRYFW-UHFFFAOYSA-N
分子式: C7H5N3O2S
平均分子量: 195.2 g/mol
单同位素质量: 195.01024758

COMPUTED

结构计算性质

等待补全

XLogP: 1.8
极性表面积: 121 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 1
重原子: 13
形式电荷: 0
复杂度: 244

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 47 条

2-Nitro-4-thiocyanatoaniline54029-45-74-Amino-3-nitrophenyl thiocyanateP5R584ZAALRefChem:1070263258-931-52-Nitro-4-thiocyanato Aniline(4-amino-3-nitrophenyl) thiocyanate2-Nitro-4-thiocyanoaniline4-thiocyano-2-nitroaniline2-nitro-4-thiocyanato-anilineMFCD00463878Thiocyanic acid, 4-amino-3-nitrophenyl esterDTXSID90370384-thiocyanato-2-nitroaniline1-amino-2-nitro-4-thiocyanatobenzeneUNII-P5R584ZAAL[(4-amino-3-nitrophenyl)sulfanyl]formonitrile2-Nitro-4-thiocyanatobenzenamine4-Amino-3-nitrophenyl Thiocyanate; 2-Nitro-4-thiocyanatobenzenamine; 4-Thiocyanato-2-nitroaniline.

REACTIONS

参与反应

72 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 (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 (9/10) · 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 (9/10) · 10.1039/C8SC04228D

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

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

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