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

HCID 16031CAS 1942-52-5

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Grundinformationen

Standard-SMILES: CCN(CC)CCS.Cl
InChIKey: QAXLTZBBDSDRPW-UHFFFAOYSA-N
Summenformel: C6H16ClNS
Durchschnittliche Molmasse: 169,72 g/mol
Monoisotopische Masse: 169,06919819

Namen und Bezeichner

Bevorzugter Name: Ethanethiol, 2-(diethylamino)-, hydrochloride (1:1)
IUPAC: 2-(diethylamino)ethanethiol;hydrochloride

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 4,2 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 9
Formalladung: 0
Komplexität: 43,8

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Sulfur Compounds

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.