1,2-Propanedithiol

C₃H₈S₂CAS 814-67-5108.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₈S₂
Molar mass: 108.22 g/mol
Exact mass: 108.0067 Da
Density: 1.061 g/mL (at 20 °C)
Boiling point: 152 °C
logP: 1.23Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

814-67-5

SMILES

CC(S)CS

InChIKey

YGKHJWTVMIMEPQ-UHFFFAOYSA-N

InChI

InChI=1S/C3H8S2/c1-3(5)2-4/h3-5H,2H2,1H3

Weigh it out

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

Names and synonyms

5 names

2,3-Dimercaptopropane
1,2-Dithiolpropane
1,2-Dimercaptopropane
1-Methyl-1,2-ethanedithiol
NSC 72085

Work with 1,2-Propanedithiol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Butanethiol513-53-147 % similar 2-Methyl-1-propanethiol513-44-044 % similar 2-Pentanethiol2084-19-743 % similar 1,2-Butanedithiol16128-68-036 % similar 2-Methyl-1-butanethiol1878-18-836 % similar Dimercaprol59-52-930 % similar L-Dithiothreitol16096-97-230 % similar Dithiothreitol27565-41-930 % similar

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

Same formula

Propane-1,3-dithiol109-80-8 2,4-Dithiapentane1618-26-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia