Sulfoacetic acid

C₂H₄O₅SCAS 123-43-3140.11 g/mol

Open in Covalent MOL file

Carboxylic acid Sulfonic 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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Danger

H312 Harmful in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P362+P364, P363, P403+P233, P405, P501

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

(Methylsulfonyl)acetic acid2516-97-452 % similar Ethanedisulfonic acid110-04-343 % similar Succinic acid110-15-643 % similar Malonic acid141-82-243 % similar Methanedisulfonic acid503-40-243 % similar (Phenylsulfonyl)acetic acid3959-23-742 % similar 3-Chloropropionic acid107-94-840 % similar Glutaric acid110-94-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook