chempirical

2,2′-Thiobis[ethanamine]

C4H12N2SCAS 871-76-1120.21 g/mol

Open in Covalent MOL file
H2NSNH2
Primary amineSulfide

Properties

Molecular formula
C4H12N2S
Molar mass
120.21 g/mol
Exact mass
120.0721 Da
Density
1.051 g/mL (at 20 °C)
Melting point
0.5–1.5 °C
Boiling point
130–131 °C (at 22 Torr)
logP
-0.36Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Identifiers

CAS number
871-76-1
SMILES
NCCSCCN
InChIKey
JONTXEXBTWSUKE-UHFFFAOYSA-N
InChI
InChI=1S/C4H12N2S/c5-1-3-7-4-2-6/h1-6H2

Weigh it out

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

Names and synonyms

18 names · show all
  • 2-(2-Aminoethylsulfanyl)ethanamine
  • Ethanamine, 2,2′-thiobis-
  • Ethylamine, 2,2′-thiobis-
  • β,β′-Diaminodiethyl sulfide
  • Bis(β-aminoethyl) sulfide
  • Monoethanolamine sulfide
  • Bis(2-aminoethyl) sulfide
  • 3-Thiacadaverine
  • 1,5-Diamino-3-thiapentane
  • 2,2′-Thiobis[ethylamine]
  • Lanthionamine
  • 2,2′-Thiodiethylamine
  • 1,7-Diaza-4-thiaheptane
  • 3-Thia-1,5-pentanediamine
  • 3-Thia-1,5-diaminopentane
  • NSC 203144
  • 2-(2-Aminoethylthio)ethanamine
  • 2-[(2-Aminoethyl)sulfanyl]ethan-1-amine

Work with 2,2′-Thiobis[ethanamine]

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

2-Methylthioethylamine18542-42-247 % similar Cystamine dihydrochloride56-17-747 % similar Ethylenediamine107-15-342 % similar 1,3-Diaminopropane109-76-236 % similar Tetrahydrothiophene110-01-036 % similar Putrescine110-60-136 % similar Thietane287-27-436 % similar 1,3-Dithiolane4829-04-336 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook