3-Mercaptopropionic acid

C₃H₆O₂SCAS 107-96-0106.14 g/mol

Open in Covalent MOL file

Carboxylic acid Thiol

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)
Flash point: 93 °C
logP: 0.39Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Danger

H290 May be corrosive to metals76.4% of notifiers
H301 Toxic if swallowed96.2% of notifiers
H311 Toxic in contact with skin10.2% of notifiers
H314 Causes severe skin burns and eye damage95.9% of notifiers
H318 Causes serious eye damage76.4% of notifiers
H332 Harmful if inhaled77.7% of notifiers

Aggregated from 942 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P390, P405, P406, P501

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)

Weigh it out

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

1,4-Butanediol bis(3-mercaptopropionate)92140-97-174 % similar 11-Mercaptoundecanoic acid71310-21-965 % similar Succinic acid110-15-661 % similar Glutaric acid110-94-155 % similar Adipic acid124-04-955 % similar 3,3′-Dithiodipropionic acid1119-62-655 % similar Pimelic acid111-16-052 % similar Sebacic acid111-20-652 % 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

PubChem CAS Common Chemistry NIST WebBook Wikipedia