2-(2-Methylpropyl)-1,3-thiazole-4-carboxylic acid

HCID 23588154

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基本情報

CAS: 386730-36-5
標準SMILES: CC(C)Cc1nc(C(=O)O)cs1
InChIKey: GELCNJDITWBJJG-UHFFFAOYSA-N
分子式: C8H11NO2S
平均分子量: 185.25 g/mol
単同位体質量: 185.05104977

名称と識別子

優先名称: 2-(2-Methylpropyl)-1,3-thiazole-4-carboxylic acid
IUPAC: 2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid

名称と別名

2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid386730-36-5RefChem:454246832-214-2SCHEMBL1246613GELCNJDITWBJJG-UHFFFAOYSA-NLQA730362-Isobutylthiazole-4-carboxylic acidAKOS009309574DB-089462EN300-59472G25911

名称をさらに表示

2-(2-methylpropyl)-1,3-thiazole-4-carboxylicacidZ381402830

データベース識別子

CAS: 386730-36-5
PubChem CID: 23588154
EC Number: 832-214-2

物性

構造計算による物性

XLogP: 2.4
極性表面積: 78.4 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 172

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.