2,3-Butanedithiol

C₄H₁₀S₂CAS 4532-64-3122.24 g/mol

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Properties

Molecular formula: C₄H₁₀S₂
Molar mass: 122.24 g/mol
Exact mass: 122.0224 Da
Boiling point: 86–87 °C (at 50 Torr)
logP: 1.62Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers

Aggregated from 1,416 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number

4532-64-3

SMILES

CC(S)C(C)S

InChIKey

TWWSEEHCVDRRRI-UHFFFAOYSA-N

InChI

InChI=1S/C4H10S2/c1-3(5)4(2)6/h3-6H,1-2H3

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Names and synonyms

1 names

2,3-Dimercaptobutane

Work with 2,3-Butanedithiol

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

3-Methyl-2-butanethiol2084-18-662 % similar Rel-(2R,3S)-3-Mercapto-2-butanol37887-04-050 % similar 3-Mercapto-2-butanol54812-86-150 % similar 2-Propanethiol75-33-238 % similar 3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol54957-02-735 % similar

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

Same formula

Diethyl disulfide110-81-6 1,4-Butanedithiol1191-08-8 1,2-Butanedithiol16128-68-0 Methyl propyl disulfide2179-60-4

Elsewhere

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