(Diethylamino)ethanethiol hydrochloride

C6H16ClNSCAS 1942-52-5169.71 g/mol

Open in Covalent MOL file
NSHHCl
Tertiary amineThiol

Properties

Molecular formula
C6H16ClNS
Molar mass
169.71 g/mol
Exact mass
169.0692 Da
Melting point
172–173 °C
logP
1.68Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1942-52-5
SMILES
CCN(CC)CCS.Cl
InChIKey
QAXLTZBBDSDRPW-UHFFFAOYSA-N
InChI
InChI=1S/C6H15NS.ClH/c1-3-7(4-2)5-6-8;/h8H,3-6H2,1-2H3;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Ethanethiol, 2-(diethylamino)-, hydrochloride (1:1)
  • Ethanethiol, 2-(diethylamino)-, hydrochloride
  • N,N-Diethyl-β-mercaptoethylamine hydrochloride
  • N-(2-Mercaptoethyl)diethylamine hydrochloride
  • 2-(Diethylamino)ethanethiol hydrochloride
  • 2-(Diethylamino)ethylmercaptan hydrochloride

Work with (Diethylamino)ethanethiol hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-(Diethylamino)ethanethiol100-38-9Free base

Similar compounds

Triethylamine monohydrochloride554-68-755 % similar 2-(Diethylamino)ethanol hydrochloride14426-20-152 % similar 1-Chloro-2-(diethylamine)ethane hydrochloride869-24-952 % similar 2-(Dimethylamino)ethanethiol hydrochloride13242-44-950 % similar N,N,N′,N′-Tetraethylethylenediamine150-77-650 % similar 1,4-Diethylpiperazine6483-50-743 % similar Diethylaminoethyl chloride100-35-640 % similar N,N-Diethylethylenediamine100-36-740 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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