Basic information
- Standard SMILES
CCN(CC)CCS.Cl- InChIKey
QAXLTZBBDSDRPW-UHFFFAOYSA-N- Molecular formula
- C6H16ClNS
- Average molar mass
- 169.72 g/mol
- Monoisotopic mass
- 169.06919819
Names & identifiers
- Preferred name
- Ethanethiol, 2-(diethylamino)-, hydrochloride (1:1)
- IUPAC
- 2-(diethylamino)ethanethiol;hydrochloride
Names & synonyms
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
Show more names
Diethyl2mercaptoethylammonium chlorideEthanethiol, 2(diethylamino), hydrochloride217-731-82-(diethylamino)ethanethiol hydrochloride2-(diethylamino)ethanethiol;hydrochloride185463-71-22-(diethylamino)ethane-1-thiol hydrochloride2-Diethylaminoethyl mercaptan hydrochloride
Database identifiers
- CAS
1942-52-5- PubChem CID
- 16031
- DTXSID
DTXSID8062078- UNII
- TC4JV8V2VN
- EC Number
- 217-731-8
Properties
Computed structural properties
- Topological polar surface area
- 4.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 43.8
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
Physical DescriptionWhite crystalline solid with an unpleasant odor; [Aldrich MSDS]
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
Hazards SummaryAn irritant; [Aldrich MSDS] See 2-Diethylaminoethanol.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanethiol, 2-(diethylamino)-, hydrochloride (1:1): ACTIVE
Related reactions
9 records
Linked notes
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