chempirical

Dimercaptosuccinic acid

C4H6O4S2CAS 2418-14-6182.21 g/mol

Open in Covalent MOL file
OHOSHSHOOH
Carboxylic acidThiol

Properties

Molecular formula
C4H6O4S2
Molar mass
182.21 g/mol
Exact mass
181.9708 Da
Melting point
167–168 °C
logP
-0.25Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
3

Identifiers

CAS number
2418-14-6
SMILES
O=C(O)C(S)C(S)C(=O)O
InChIKey
ACTRVOBWPAIOHC-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)

Weigh it out

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

Names and synonyms

9 names
  • Butanedioic acid, 2,3-dimercapto-
  • Succinic acid, 2,3-dimercapto-
  • 2,3-Dimercaptobutanedioic acid
  • α,β-Dimercaptosuccinic acid
  • 2,3-Dimercaptosuccinic acid
  • Asta 7512
  • DMSA
  • NSC 259951
  • 2,3-Disulfanylbutanedioic acid

Work with Dimercaptosuccinic acid

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

1,2,3,4,5,6-Cyclohexanehexacarboxylic acid2216-84-450 % similar Thiolactic acid79-42-550 % similar Dl-tartaric acid133-37-945 % similar D-Tartaric acid147-71-745 % similar 2,3-Dihydroxybutanedioic acid526-83-045 % similar Glyoxylic acid monohydrate563-96-245 % similar Tartronic acid80-69-345 % similar Tartaric acid87-69-445 % similar

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

Same formula

meso-2,3-Dimercaptosuccinic acid304-55-2 Dithiodiglycolic acid505-73-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook