chempirical

2-(Dimethylamino)ethanethiol hydrochloride

C4H12ClNSCAS 13242-44-9141.66 g/mol

Open in Covalent MOL file
NSHHCl
Tertiary amineThiol

Properties

Molecular formula
C4H12ClNS
Molar mass
141.66 g/mol
Exact mass
141.0379 Da
Melting point
158–160 °C
logP
0.90Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
13242-44-9
SMILES
CN(C)CCS.Cl
InChIKey
NRVFDGZJTPCULU-UHFFFAOYSA-N
InChI
InChI=1S/C4H11NS.ClH/c1-5(2)3-4-6;/h6H,3-4H2,1-2H3;1H

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Names and synonyms

14 names · show all
  • Ethanethiol, 2-(dimethylamino)-, hydrochloride (1:1)
  • Ethanethiol, 2-(dimethylamino)-, hydrochloride
  • Captamine hydrochloride
  • N-(2-Mercaptoethyl)dimethylamine hydrochloride
  • N,N-Dimethylcysteamine hydrochloride
  • 1-(Dimethylamino)-2-mercaptoethane hydrochloride
  • (2-Mercaptoethyl)dimethylammonium chloride
  • MEDA
  • N,N-Dimethyl-2-aminoethanethiol hydrochloride
  • 2-(N,N-Dimethylamino)ethanethiol hydrochloride
  • 2-(Dimethylamino)ethyl mercaptan hydrochloride
  • Thiofluor
  • NSC 45463
  • 2-(Dimethylamino)ethane-1-thiol hydrochloride

Work with 2-(Dimethylamino)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

Similar compounds

(Diethylamino)ethanethiol hydrochloride1942-52-550 % similar Dimethylaminoethyl chloride hydrochloride4584-46-748 % similar N,N,N′,N′-Tetramethylethylenediamine110-18-944 % similar 3-Dimethylaminopropyl chloride hydrochloride1281-00-144 % similar 3-(Dimethylamino)propyl chloride hydrochloride5407-04-544 % similar N,N,N',N'-Tetramethyl-1,3-diaminopropane110-95-240 % similar N1,N1,N4,N4-Tetramethyl-1,4-butanediamine111-51-340 % similar N,N-Dimethylphenethylamine hydrochloride10275-21-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methyl-3-aminopropane-2-thiol hydrochloride32047-53-3

Elsewhere

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