chempirical

(Methylthio)acetic acid

C3H6O2SCAS 2444-37-3106.14 g/mol

Open in Covalent MOL file
SOOH
Carboxylic acidSulfide

Properties

Molecular formula
C3H6O2S
Molar mass
106.14 g/mol
Exact mass
106.0089 Da
Density
1.227 g/mL (at 20 °C)
Boiling point
107 °C (at 9.5 Torr)
logP
0.43Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
2444-37-3
SMILES
CSCC(=O)O
InChIKey
HGTBAIVLETUVCG-UHFFFAOYSA-N
InChI
InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)

Weigh it out

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

Names and synonyms

13 names · show all
  • Acetic acid, 2-(methylthio)-
  • Acetic acid, (methylthio)-
  • 2-(Methylthio)acetic acid
  • S-Methylthioglycolic acid
  • (Methylmercapto)acetic acid
  • 2-(Methylthio)ethanoic acid
  • α-(Methylthio)acetic acid
  • (Methylsulfenyl)acetic acid
  • Methylsulfanylacetic acid
  • NSC 263480
  • 2-Methylmercaptoacetic acid
  • 2-Methylsulfanylacetic acid
  • 2-(Methylsulfanyl)acetic acid

Work with (Methylthio)acetic 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

3-(Methylthio)propanoic acid646-01-558 % similar Thiodiglycolic acid123-93-357 % similar Dithiodiglycolic acid505-73-757 % similar 2,2′-[Methylenebis(thio)]bis[acetic acid]2068-24-852 % similar 2-(Ethylthio)acetic acid627-04-352 % similar 2,2′-[Carbonothioylbis(thio)]bis[acetic acid]6326-83-646 % similar 1-(Methylthio)-2-propanone14109-72-946 % similar Propionic acid79-09-443 % similar

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

Same formula

3-Mercaptopropionic acid107-96-0 Methyl thioglycolate2365-48-2 Methyl vinyl sulfone3680-02-2 Thiolactic acid79-42-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook