chempirical

3-Mercaptopropionic acid

C3H6O2SCAS 107-96-0106.14 g/mol

Open in Covalent MOL file
OHOSH
Carboxylic acidThiol

Properties

Molecular formula
C3H6O2S
Molar mass
106.14 g/mol
Exact mass
106.0089 Da
Density
1.218 g/mL (at 21 °C)
Melting point
16.8 °C
Boiling point
111 °C (at 15 Torr)
logP
0.39Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
107-96-0
SMILES
O=C(O)CCS
InChIKey
DKIDEFUBRARXTE-UHFFFAOYSA-N
InChI
InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)

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

Names and synonyms

18 names · show all
  • Propanoic acid, 3-mercapto-
  • Propionic acid, 3-mercapto-
  • Propionic acid, β-mercapto-
  • 3-Mercaptopropanoic acid
  • β-Mercaptopropionic acid
  • β-Thiopropionic acid
  • 3-Thiopropionic acid
  • Mercaptopropionic acid
  • 3-Thiopropanoic acid
  • β-Mercaptopropanoic acid
  • MPA
  • Thiohydracrylic acid
  • 2-Mercaptoethanecarboxylic acid
  • NSC 437
  • NSC 45157
  • BMPA (thiol)
  • BMPA
  • 3-Sulfanylpropanoic acid

Work with 3-Mercaptopropionic 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

11-Mercaptoundecanoic acid71310-21-965 % similar Succinic acid110-15-661 % similar Glutaric acid110-94-155 % similar 3,3′-Dithiodipropionic acid1119-62-655 % similar Pimelic acid111-16-052 % similar Sebacic acid111-20-652 % similar Pentadecanedioic acid1460-18-052 % similar Diammonium succinate2226-88-252 % similar

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

Same formula

Methyl thioglycolate2365-48-2 (Methylthio)acetic acid2444-37-3 Methyl vinyl sulfone3680-02-2 Thiolactic acid79-42-5

Elsewhere

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