(Methylsulfonyl)acetic acid

C₃H₆O₄SCAS 2516-97-4138.14 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid Sulfone

Properties

Molecular formula: C₃H₆O₄S
Molar mass: 138.14 g/mol
Exact mass: 137.9987 Da
Melting point: 115 °C
logP: -0.88Crippen estimate
Polar surface area: 71.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

2516-97-4

SMILES

CS(=O)(=O)CC(=O)O

InChIKey

NYEHUAQIJXERLP-UHFFFAOYSA-N

InChI

InChI=1S/C3H6O4S/c1-8(6,7)2-3(4)5/h2H2,1H3,(H,4,5)

Weigh it out

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

Names and synonyms

6 names

Acetic acid, 2-(methylsulfonyl)-
Acetic acid, (methylsulfonyl)-
2-(Methylsulfonyl)acetic acid
Mesylacetic acid
Methanesulfonylacetic acid
2-Methanesulfonylacetic acid

Work with (Methylsulfonyl)acetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

1,3,2λ6-Dioxathiane-2,2-dione1073-05-8

Elsewhere

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