chempirical

Dithiothreitol

C4H10O2S2CAS 27565-41-9154.24 g/mol

Open in Covalent MOL file
OHHSOHSH
AlcoholThiol

Properties

Molecular formula
C4H10O2S2
Molar mass
154.24 g/mol
Exact mass
154.0122 Da
Melting point
42.5 °C
Boiling point
127.5 °C
logP
-0.43Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
3
Stereocentres
R, 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
27565-41-9
SMILES
O[C@@H](CS)[C@@H](O)CS
InChIKey
VHJLVAABSRFDPM-SEFKMRKONA-N
InChI
InChI=1/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/s2

Weigh it out

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

Names and synonyms

22 names · show all
  • 2,3-Butanediol, 1,4-dimercapto-, (2R,3R)-rel-
  • Threitol, 1,4-dithio-
  • 2,3-Butanediol, 1,4-dimercapto-, (R*,R*)-
  • Rel-(2R,3R)-1,4-Dimercapto-2,3-butanediol
  • 1,4-Dithiothreitol
  • Threo-2,3-Dihydroxy-1,4-butanedithiol
  • Cleland's reagent
  • Sputolysin
  • DTT
  • Threo-1,4-Dimercapto-2,3-butanediol
  • WR 34678
  • DL-Dithiothreitol
  • rac-Dithiothreitol
  • DL-1,4-Dithiothreitol
  • (±)-Dithiothreitol
  • 1,4-Dithio-DL-threitol
  • DL-1,4-Dimercapto-2,3-dihydroxybutane
  • (±)-1,4-Dimercapto-2,3-butanediol
  • Reagents, cleland's
  • DTT (threitol derivative)
  • Threo-2,3-Dihydroxy-1,4-dithiolbutane
  • Mucolyse

Work with Dithiothreitol

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

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.

Dithioerythritol6892-68-8Diastereomer Dithiothreitol3483-12-3 Dithiothreitol16096-97-2

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

PubChem CAS Common Chemistry NIST WebBook