chempirical

2-(Diethylamino)ethanethiol

C6H15NSCAS 100-38-9133.25 g/mol

Open in Covalent MOL file
NSH
Tertiary amineThiol

Properties

Molecular formula
C6H15NS
Molar mass
133.25 g/mol
Exact mass
133.0925 Da
Density
0.8751 g/mL (at 20 °C)
Boiling point
74 °C (at 32 Torr)
logP
1.26Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
100-38-9
SMILES
CCN(CC)CCS
InChIKey
YBDSNEVSFQMCTL-UHFFFAOYSA-N
InChI
InChI=1S/C6H15NS/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3

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Names and synonyms

9 names
  • Ethanethiol, 2-(diethylamino)-
  • Diethylcysteamine
  • Diethyl(2-mercaptoethyl)amine
  • 2-(Diethylamino)ethyl mercaptan
  • N,N-Diethylcysteamine
  • 2-(N,N-Diethylamino)ethanethiol
  • (2-Mercaptoethyl)diethylamine
  • NSC 49193
  • 2-(Diethylamino)ethane-1-thiol

Work with 2-(Diethylamino)ethanethiol

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 hydrochloride1942-52-584 % similar N,N,N′,N′-Tetraethylethylenediamine150-77-659 % similar 1,4-Diethylpiperazine6483-50-750 % similar Triethylamine121-44-847 % similar Diethylaminoethyl chloride100-35-645 % similar N,N-Diethylethylenediamine100-36-745 % similar Diethylethanolamine100-37-845 % similar 1-Ethylpyrrolidine7335-06-045 % similar

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

Elsewhere

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