HCID53271816

2-Methyl-5-m-tolyl-thiazole-4-carboxylic acid

2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid

C12H11NO2S233.29 g/mol

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IDENTITY

结构与身份

标准 SMILES: Cc1cccc(-c2sc(C)nc2C(=O)O)c1
InChIKey: DHUFXBJQFCCELL-UHFFFAOYSA-N
分子式: C12H11NO2S
平均分子量: 233.29 g/mol
单同位素质量: 233.05104977

COMPUTED

结构计算性质

已同步

XLogP: 3.2
极性表面积: 78.4 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 2
重原子: 16
形式电荷: 0
复杂度: 272

ALIASES

名称与别名

共 6 条

2-methyl-5-m-tolyl-thiazole-4-carboxylic acid1007873-99-5SCHEMBL269283DHUFXBJQFCCELL-UHFFFAOYSA-NAKOS005211673DB-338596

REACTIONS

参与反应

46 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID42925

uspto-grants-2013_09

作为反应物

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536209B2

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HRID42961

uspto-grants-2013_09

作为反应物

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536209B2

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HRID100525

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID120703

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID124269

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID149534

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID166569

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID316731

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

作为反应物

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

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