chempirical

1,5-Pentanedithiol

C5H12S2CAS 928-98-3136.27 g/mol

Open in Covalent MOL file
HSSH
Thiol

Properties

Molecular formula
C5H12S2
Molar mass
136.27 g/mol
Exact mass
136.0380 Da
Boiling point
108–109 °C (at 15 Torr)
logP
2.02Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
928-98-3
SMILES
SCCCCCS
InChIKey
KMTUBAIXCBHPIZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H12S2/c6-4-2-1-3-5-7/h6-7H,1-5H2

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

Names and synonyms

3 names
  • 1,5-Dimercaptopentane
  • NSC 51699
  • 1,5-Dithiolpentane

Work with 1,5-Pentanedithiol

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

1,6-Hexanedithiol1191-43-1100 % similar 1,8-Octanedithiol1191-62-4100 % similar 1,10-Decanedithiol1191-67-9100 % similar 1,9-Nonanedithiol3489-28-9100 % similar 1,4-Butanedithiol1191-08-889 % similar Propane-1,3-dithiol109-80-870 % similar 1-Hexanethiol111-31-960 % similar 1-Octanethiol111-88-660 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook