chempirical

Sulfoacetic acid

C2H4O5SCAS 123-43-3140.11 g/mol

Open in Covalent MOL file
OHOSOOOH
Carboxylic acidSulfonic acid

Properties

Molecular formula
C2H4O5S
Molar mass
140.11 g/mol
Exact mass
139.9779 Da
Melting point
84 °C
logP
-1.04Crippen estimate
Polar surface area
91.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
123-43-3
SMILES
O=C(O)CS(=O)(=O)O
InChIKey
AGGIJOLULBJGTQ-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)

Weigh it out

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

Names and synonyms

5 names
  • Acetic acid, 2-sulfo-
  • Acetic acid, sulfo-
  • 2-Sulfoacetic acid
  • Sulfoethanoic acid
  • Carboxymethylsulfonic acid

Work with Sulfoacetic 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

Methanedisulfonic acid503-40-243 % similar 3-Chloropropionic acid107-94-840 % similar Glutaric acid110-94-139 % similar 1,3-Propanedisulfonic acid21668-77-939 % similar Polyglycolide26124-68-539 % similar 1,4-Butanedisulfonic acid27665-39-039 % similar Glycolic acid79-14-139 % similar L-Cysteic acid498-40-839 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook