Dithiothreitol

C₄H₁₀O₂S₂CAS 16096-97-2154.24 g/mol

Open in Covalent MOL file

Alcohol Thiol

Properties

Molecular formula: C₄H₁₀O₂S₂
Molar mass: 154.24 g/mol
Exact mass: 154.0122 Da
Melting point: 42–43 °C
Water solubility: freely soluble
logP: -0.43Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 3
Stereocentres: R, Rin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage34% of notifiers
H319 Causes serious eye irritation66% of notifiers
H335 May cause respiratory irritation63.5% of notifiers
H412 Harmful to aquatic life with long lasting effects30% of notifiers

Aggregated from 403 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

16096-97-2

SMILES

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

InChIKey

VHJLVAABSRFDPM-IMJSIDKUSA-N

InChI

InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m0/s1

Weigh it out

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

Names and synonyms

5 names

L-Dithiothreitol
2,3-Butanediol, 1,4-dimercapto-, (2R,3R)-
Threitol, 1,4-dithio-, L-
2,3-Butanediol, 1,4-dimercapto-, [R-(R*,R*)]-
(2R,3R)-1,4-Dimercapto-2,3-butanediol

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 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 Dithiothreitol27565-41-9

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