3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride

HCID 2833352CAS 4568-71-2

基本情報

標準SMILES: Cc1c(CCO)sc[n+]1Cc1ccccc1.[Cl-]
InChIKey: IWSVLBKHBJGMAA-UHFFFAOYSA-M
分子式: C13H16ClNOS
平均分子量: 269.79 g/mol
単同位体質量: 269.06411281

名称と識別子

優先名称: 3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride
IUPAC: 2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol chloride

名称と別名

4568-71-23-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chlorideRefChem:93062224-947-6EINECS 224-947-6NSC 1728023-benzyl-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chlorideMFCD000119592-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethanol;chloride2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol;chlorideEN300-7355556

名称をさらに表示

3-benzyl-5-(2- hydroxyethyl)-4-methylthiazolium chloride2-[4-methyl-3-benzyl-1,3-thiazol-5-yl]ethan-1-ol, chlorideThiazolium, 5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)-, chlorideSCHEMBL213373-BENZYL-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUMDTXSID509634192-(3-benzyl-4-methyl-1,3-th2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol chloride

データベース識別子

CAS: 4568-71-2
PubChem CID: 2833352
DTXSID: DTXSID50963419
EC Number: 224-947-6

物性

構造計算による物性

極性表面積: 52.4 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: 4
重原子数: 17
形式電荷: 0
複雑度: 206

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationThiazolium, 5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)-, chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)