HCID32307

3-Methylisothiazol-5-amine

3-methyl-1,2-thiazol-5-amine

C4H6N2S114.17 g/molCAS 24340-76-9

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IDENTITY

结构与身份

标准SMILES: Cc1cc(N)sn1
InChIKey: CQMHIXRPQGPCNT-UHFFFAOYSA-N
分子式: C4H6N2S
平均分子量: 114.17 g/mol
单同位素质量: 114.02516937

COMPUTED

结构计算性质

等待补全

XLogP: 1
极性表面积: 67.2 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 0
重原子: 7
形式电荷: 0
复杂度: 66

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 41 条

3-Methylisothiazol-5-amine24340-76-95-AMINO-3-METHYLISOTHIAZOLEEINECS 246-176-4DTXSID20179080RefChem:504268DTXCID50101571246-176-43-methyl-1,2-thiazol-5-amine5-Isothiazolamine, 3-methyl-3-METHYL-ISOTHIAZOL-5-YLAMINE3-METHYL-5-ISOTHIAZOLAMINEMFCD000445205-Isothiazolamine, 3-methyl-, hydrochloride3-methylisothiazole-5-ylamine3-methyl-5-amino-isothiazole hcl3-methyl-5-aminoisothiazole5SF7KHS8TD5-amino-2-methylisothiazole3-methyl-5-isothiazolylamine

REACTIONS

参与反应

23 条

uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04150226

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uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04152516

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2016_01 · 10.6084/m9.figshare.5104873.v1 · US09238655B2

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

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uspto-grants-2011_09 · 10.6084/m9.figshare.5104873.v1 · US08026271B2

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2014_05 · 10.6084/m9.figshare.5104873.v1 · US08716274B2

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