Dimercaprol

C3H8OS2CAS 59-52-9124.22 g/mol

Open in Covalent MOL file
HOSHSH
AlcoholThiol

Properties

Molecular formula
C3H8OS2
Molar mass
124.22 g/mol
Exact mass
124.0017 Da
Density
1.2385 g/mL (at 25 °C)
Melting point
77 °C
Boiling point
140 °C
pKa
8.62, 10.57 (25 °C)
Flash point
112.8 °C
Water solubility
10–50 g/L (20 °C)
logP
0.21Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
59-52-9
SMILES
OCC(S)CS
InChIKey
WQABCVAJNWAXTE-UHFFFAOYSA-N
InChI
InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2

Weigh it out

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

Names and synonyms

23 names · show all
  • 1-Propanol, 2,3-dimercapto-
  • 2,3-Dimercapto-1-propanol
  • BAL
  • Dicaptol
  • 2,3-Dimercaptopropanol
  • Dithioglycerol
  • 3-Hydroxy-1,2-propanedithiol
  • British antilewisite
  • 1,2-Dithioglycerol
  • 1,2-Dimercapto-3-propanol
  • 2,3-Dithiopropanol
  • α,β-Dithioglycerol
  • Dimersol
  • Antoxol
  • Dithioglycerine
  • DMP
  • Panobal
  • Sulfactin
  • 2,3-Dithiopropan-1-ol
  • NSC 39515
  • NSC 4646
  • 2,3-Bis(sulfanyl)propan-1-ol
  • 2,3-Disulfanylpropan-1-ol

Work with Dimercaprol

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

Similar compounds

1,2-Butanedithiol16128-68-045 % similar 3-Mercaptopropane-1,2-diol96-27-545 % similar Dithiothreitol16096-97-233 % similar Dithiothreitol27565-41-933 % similar Dithiothreitol3483-12-333 % similar Dithioerythritol6892-68-833 % similar Unithiol4076-02-232 % similar 2-(Hydroxymethyl)-1,3-propanediol4704-94-332 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

FAMSO33577-16-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook