Dithioerythritol

C₄H₁₀O₂S₂CAS 6892-68-8154.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₁₀O₂S₂
Molar mass: 154.24 g/mol
Exact mass: 154.0122 Da
Melting point: 83 °C
logP: -0.43Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 3
Stereocentres: S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6892-68-8

SMILES

O[C@H](CS)[C@@H](O)CS

InChIKey

VHJLVAABSRFDPM-ZXZARUISNA-N

InChI

InChI=1/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4+

Weigh it out

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

Names and synonyms

7 names

2,3-Butanediol, 1,4-dimercapto-, (2R,3S)-rel-
Rel-(2R,3S)-1,4-Dimercapto-2,3-butanediol
1,4-Dithioerythritol
DTE
Erythro-1,4,-Dimercapto-2,3-butanediol
Erythritol, 1,4-dithio-
2,3-Butanediol, 1,4-dimercapto-, (R*,S*)-

Work with Dithioerythritol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Dithiothreitol3483-12-3Diastereomer Dithiothreitol27565-41-9Diastereomer Dithiothreitol16096-97-2Diastereomer

Similar compounds

3-Mercaptopropane-1,2-diol96-27-540 % similar trans-1,2-Cyclohexanediol1460-57-735 % similar Erythritol149-32-635 % similar cis-1,2-Cyclohexanediol1792-81-035 % similar L-Threitol2319-57-535 % similar Threitol2418-52-235 % similar Cyclohexane-1,2-diol931-17-935 % similar Erythritan4358-64-933 % similar

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

Same formula

Hydroxyethyl disulfide1892-29-1

Elsewhere

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