chempirical

Thiodisuccinic acid

C8H10O8SCAS 4917-76-4266.22 g/mol

Open in Covalent MOL file
OOHSOOHOHOOHO
Carboxylic acidSulfide

Properties

Molecular formula
C8H10O8S
Molar mass
266.22 g/mol
Exact mass
266.0096 Da
Melting point
212–213 °C
logP
-0.42Crippen estimate
Polar surface area
149.2 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
8

Identifiers

CAS number
4917-76-4
SMILES
O=C(O)CC(SC(CC(=O)O)C(=O)O)C(=O)O
InChIKey
SASYRHXVHLPMQD-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O8S/c9-5(10)1-3(7(13)14)17-4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)

Weigh it out

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

Names and synonyms

6 names
  • Butanedioic acid, 2,2′-thiobis-
  • Succinic acid, 2,2′-thiodi-
  • 2,2′-Thiobis[butanedioic acid]
  • 2,2′-Thiobis(succinic acid)
  • 2,2′-Thiodisuccinic acid
  • 2-(1,2-Dicarboxyethylsulfanyl)butanedioic acid

Work with Thiodisuccinic 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

Malic acid617-48-159 % similar D-Malic acid636-61-359 % similar Malic acid6915-15-759 % similar L-Malic acid97-67-659 % similar 1,2,3,4-Butanetetracarboxylic acid1703-58-858 % similar D-Aspartic acid1783-96-652 % similar Polyaspartic acid25608-40-652 % similar (+)-Methylsuccinic acid3641-51-852 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook