4-Methylthiophene-2-carboxylic acid

HCID 178781351CAS 168902-34-9

基本情報

標準SMILES: Cc1csc(C(=O)O)c1
InChIKey: YCIVJGQMXZZPAB-UHFFFAOYSA-N
分子式: C6H6O2S
平均分子量: 142.18 g/mol

名称と識別子

優先名称: 4-Methylthiophene-2-carboxylic acid
IUPAC: 4-methylthiophene-2-carboxylic acid
英語名: 4-methyl-2-thiophenecarboxylic acid
分子式: C6H6O2S
分子量: 142.18

名称と別名

4-Methylthiophene-2-carboxylic acid14282-78-1DTXSID90383233RefChem:294705DTXCID60334257627-957-24-methyl-2-thiophenecarboxylic acid4-Methyl-thiophene-2-carboxylic acid2-Thiophenecarboxylic acid, 4-methyl-MFCD00089284SCHEMBL130041168902-34-9

名称をさらに表示

CHEMBL42906644-methyl-2-thiopene carboxylic acidBDBM50467733AKOS000303037BP-10448F2191-0136SCHEMBL130040orb3170102

データベース識別子

CAS: 168902-34-9
ChEMBL: CHEMBL4290664
EC Number: 627-957-2
Nikkaji: J1.007.581E

物性

構造計算による物性

XLogP: 1.8
極性表面積: 65.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 124

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Sens. 1 (97.6%)

化学と産業

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