Phenol, o-mercapto-(6CI,7CI,8CI)

HCID 70718CAS 1121-24-0

基本情報

標準SMILES: Oc1ccccc1S
InChIKey: VMKYTRPNOVFCGZ-UHFFFAOYSA-N
分子式: C6H6OS
平均分子量: 126.18 g/mol
単同位体質量: 126.01393581

名称と識別子

優先名称: Phenol, o-mercapto-(6CI,7CI,8CI)
IUPAC: 2-sulfanylphenol

名称と別名

2-Hydroxythiophenol2-Mercaptophenol1121-24-0Phenol, 2-mercapto-o-Mercaptophenolo-Hydroxythiophenolo-Hydroxybenzenothiol2-HydroxybenzenothiolEINECS 214-326-8DTXSID80149906Phenol, o-mercapto-(6CI,7CI,8CI)RefChem:861377

名称をさらに表示

DTXCID1072397214-326-82-Sulfanylphenol2-HydroxybenzenethiolmercaptophenolMFCD000404472-Hydroxy thiophenolPhenol, mercapto-

データベース識別子

CAS: 1121-24-0
PubChem CID: 70718
DTXSID: DTXSID80149906
ChEMBL: CHEMBL1233444
EC Number: 214-326-8
Nikkaji: J60.255H

物性

構造計算による物性

XLogP: 1.7
極性表面積: 21.2 Å²
水素結合供与体数: 2
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: 74.9

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.