3-Hydroxy-2,4-dimethylthiophene

HCID 86364CAS 121144-97-6

基本情報

標準SMILES: Cc1csc(C)c1O
InChIKey: HQAKWHSNHXGQPA-UHFFFAOYSA-N
分子式: C6H8OS
平均分子量: 128.19 g/mol
単同位体質量: 128.02958588

名称と識別子

優先名称: 3-Hydroxy-2,4-dimethylthiophene
IUPAC: 2,4-dimethylthiophen-3-ol

名称と別名

121144-97-6Thiophene-3-ol, 2,4-dimethyl-3-Hydroxy-2,4-dimethylthiophene2,4-dimethylthiophene-3-ol4WDS23V0MRDTXSID30295762,4-DIMETHYLTHIEN-3-OLRefChem:502309DTXCID409576895-463-62,4-dimethylthiophen-3-ol2,4-dimethyl-3-hydroxythiophene

名称をさらに表示

UNII-4WDS23V0MRSCHEMBL7992440NS00122025EN300-2502946Q27893182

データベース識別子

CAS: 121144-97-6
PubChem CID: 86364
DTXSID: DTXSID3029576
UNII: 4WDS23V0MR
EC Number: 895-463-6
Nikkaji: J1.596.623H

物性

構造計算による物性

XLogP: 2
極性表面積: 48.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 84.6

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.

Not Classified

Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesNot Classified

化学と産業

用途と製造

General Manufacturing InformationThiophene-3-ol, 2,4-dimethyl-: ACTIVE