1,1-Ethanedithiol

HCID 33645CAS 26914-40-9

基本情報

標準SMILES: CC(S)S
InChIKey: DHBXNPKRAUYBTH-UHFFFAOYSA-N
分子式: C2H6S2
平均分子量: 94.2 g/mol
単同位体質量: 93.99109219

名称と識別子

優先名称: 1,1-Ethanedithiol
IUPAC: ethane-1,1-dithiol

名称と別名

ethane-1,1-dithiol1,1-EthanedithiolFEMA No. 411169382-62-36E52Q3WL23DTXSID10989195RefChem:1051832DTXCID801416325639-189-5ETHANEDITHIOL26914-40-9ethane dithiol

名称をさらに表示

UNII-6E52Q3WL23Ethane-1,1-dithiol [FIFH]EINECS 248-103-1SCHEMBL330158SCHEMBL562304SCHEMBL624854SCHEMBL4629335SCHEMBL11043327

データベース識別子

CAS: 26914-40-9、69382-62-3
PubChem CID: 33645
DTXSID: DTXSID10989195
UNII: 6E52Q3WL23
EC Number: 248-103-1、639-189-5
Nikkaji: J2.814.782A

物性

構造計算による物性

XLogP: 1.3
極性表面積: 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: 4
形式電荷: 0
複雑度: 11.5

実験および物理化学的性質

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.829-0.833

Flavoring AgentsEU Flavoring substances

Solubility · 2 件

Soluble in water

Soluble (in ethanol)

Boiling PointProduct distils at 71-78 °C

Refractive Index1.369-1.375

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.