3-Mercaptoisobutyric acid
Properties
- Molecular formula
- C4H8O2S
- Molar mass
- 120.17 g/mol
- Exact mass
- 120.0245 Da
- Boiling point
- 120–122 °C (at 12 Torr)
- logP
- 0.64Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation92.9% of notifiers
- H319 Causes serious eye irritation92.9% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364
Identifiers
CAS number
26473-47-2SMILES
CC(CS)C(=O)OInChIKey
MHRDCHHESNJQIS-UHFFFAOYSA-NInChI
InChI=1S/C4H8O2S/c1-3(2-7)4(5)6/h3,7H,2H2,1H3,(H,5,6)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Propanoic acid, 3-mercapto-2-methyl-
- Propionic acid, 3-mercapto-2-methyl-
- Isobutyric acid, β-mercapto-
- 3-Mercapto-2-methylpropanoic acid
- 3-Mercapto-2-methylpropionic acid
Work with 3-Mercaptoisobutyric acid
Similar compounds
2-Methylbutanoic acid116-53-058 % similar
(+)-2-Methylbutanoic acid1730-91-258 % similar
2-Methylbutanoic acid600-07-758 % similar
Beta-aminoisobutyric acid10569-72-956 % similar
3-Aminoisobutyric acid144-90-156 % similar
Cysteine3374-22-956 % similar
Cysteine52-90-456 % similar
D-Cysteine921-01-756 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds