1,3-Benzenedithiol

C₆H₆S₂CAS 626-04-0142.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₆S₂
Molar mass: 142.23 g/mol
Exact mass: 141.9911 Da
Melting point: 27 °C
Boiling point: 245 °C
logP: 2.26Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Identifiers

CAS number

626-04-0

SMILES

Sc1cccc(S)c1

InChIKey

ZWOASCVFHSYHOB-UHFFFAOYSA-N

InChI

InChI=1S/C6H6S2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H

Weigh it out

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

Names and synonyms

4 names

m-Benzenedithiol
1,3-Dimercaptobenzene
Dithioresorcinol
Thioresorcinol

Work with 1,3-Benzenedithiol

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

3-Chlorothiophenol2037-31-263 % similar 3-Fluorothiophenol2557-77-963 % similar 3-Methylbenzenethiol108-40-760 % similar 3-Aminothiophenol22948-02-360 % similar 3-Bromothiophenol6320-01-060 % similar Thiophenol108-98-556 % similar 3-Methoxybenzenethiol15570-12-455 % similar 3-(Trifluoromethoxy)benzenethiol220239-66-748 % similar

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

Same formula

Benzene-1,2-dithiol17534-15-5 1,4-Benzenedithiol624-39-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook