1,2-Butanedithiol

C₄H₁₀S₂CAS 16128-68-0122.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₁₀S₂
Molar mass: 122.24 g/mol
Exact mass: 122.0224 Da
Density: 1.039 g/mL (at 20 °C)
Boiling point: 49 °C (at 5 Torr)
logP: 1.62Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

16128-68-0

SMILES

CCC(S)CS

InChIKey

LFTMJBWNOFFSRW-UHFFFAOYSA-N

InChI

InChI=1S/C4H10S2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3

Weigh it out

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

Names and synonyms

3 names

1,2-Dithiolbutane
1,2-Dimercaptobutane
1-Ethyl-1,2-ethanedithiol

Work with 1,2-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

2-Methyl-1-butanethiol1878-18-845 % similar Dimercaprol59-52-945 % similar 2-Ethyl-1-hexanethiol7341-17-537 % similar 2-Butanethiol513-53-136 % similar 1,2-Propanedithiol814-67-536 % similar 2-Methyl-1-propanethiol513-44-033 % similar Unithiol4076-02-232 % similar

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

Same formula

Diethyl disulfide110-81-6 1,4-Butanedithiol1191-08-8 Methyl propyl disulfide2179-60-4 2,3-Butanedithiol4532-64-3

Elsewhere

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