Ethanethiol, 2-(diethylamino)-, hydrochloride (1:1)

HCID 16031CAS 1942-52-5

基本情報

標準SMILES: CCN(CC)CCS.Cl
InChIKey: QAXLTZBBDSDRPW-UHFFFAOYSA-N
分子式: C6H16ClNS
平均分子量: 169.72 g/mol
単同位体質量: 169.06919819

名称と識別子

優先名称: Ethanethiol, 2-(diethylamino)-, hydrochloride (1:1)
IUPAC: 2-(diethylamino)ethanethiol;hydrochloride

名称と別名

2-Diethylaminoethanethiol hydrochloride1942-52-5Diethyl-2-mercaptoethylammonium chlorideUSAF E-4ETHANETHIOL, 2-(DIETHYLAMINO)-, HYDROCHLORIDEEINECS 217-731-8AI3-26086Ethanethiol, 2-(diethylamino)-, hydrochloride (1:1)DTXSID8062078(Diethylamino)ethanethiol hydrochlorideRefChem:591853DTXCID7036086

名称をさらに表示

Diethyl2mercaptoethylammonium chlorideEthanethiol, 2(diethylamino), hydrochloride217-731-82-(diethylamino)ethanethiol hydrochloride2-(diethylamino)ethanethiol;hydrochloride185463-71-22-(diethylamino)ethane-1-thiol hydrochloride2-Diethylaminoethyl mercaptan hydrochloride

データベース識別子

CAS: 1942-52-5
PubChem CID: 16031
DTXSID: DTXSID8062078
UNII: TC4JV8V2VN
EC Number: 217-731-8

物性

構造計算による物性

極性表面積: 4.2 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: 4
重原子数: 9
形式電荷: 0
複雑度: 43.8

実験および物理化学的性質

Chemical ClassesOther Classes -> Sulfur Compounds

Physical DescriptionWhite crystalline solid with an unpleasant odor; [Aldrich MSDS]

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.