chempirical

Thiomalic acid

C4H6O4SCAS 70-49-5150.15 g/mol

Open in Covalent MOL file
OHOSHOOH
Carboxylic acidThiol

Properties

Molecular formula
C4H6O4S
Molar mass
150.15 g/mol
Exact mass
149.9987 Da
Melting point
149 °C
logP
-0.16Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Identifiers

CAS number
70-49-5
SMILES
O=C(O)CC(S)C(=O)O
InChIKey
NJRXVEJTAYWCQJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)

Weigh it out

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

Names and synonyms

15 names · show all
  • Butanedioic acid, 2-mercapto-
  • Succinic acid, mercapto-
  • Butanedioic acid, mercapto-
  • 2-Mercaptobutanedioic acid
  • Mercaptosuccinic acid
  • 2-Thiomalic acid
  • α-Mercaptosuccinic acid
  • 2-Mercaptosuccinic acid
  • Monomercaptosuccinic acid
  • DL-Mercaptosuccinic acid
  • DL-Thiomalic acid
  • (±)-Mercaptosuccinic acid
  • Mercaptobutanedioic acid
  • NSC 7302
  • 2-Sulfanylbutanedioic acid

Work with Thiomalic 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-Butanetetracarboxylic acid1703-58-858 % similar Propane-1,2,3-tricarboxylic acid99-14-958 % similar Malic acid617-48-154 % similar D-Malic acid636-61-354 % similar Malic acid6915-15-754 % similar L-Malic acid97-67-654 % similar D-Aspartic acid1783-96-652 % similar Polyaspartic acid25608-40-652 % similar

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

Same formula

Thiodiglycolic acid123-93-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia