3-(Methylthio)propanoic acid
Properties
- Molecular formula
- C4H8O2S
- Molar mass
- 120.17 g/mol
- Exact mass
- 120.0245 Da
- Density
- 1.158 g/mL (at 20 °C)
- Melting point
- 53 °C
- Boiling point
- 102–104 °C (at 0.5 Torr)
- logP
- 0.82Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 3
Hazards
Danger
- H290 May be corrosive to metals14.3% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage14.3% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, P501
Identifiers
CAS number
646-01-5SMILES
CSCCC(=O)OInChIKey
CAOMCZAIALVUPA-UHFFFAOYSA-NInChI
InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Propanoic acid, 3-(methylthio)-
- Propionic acid, 3-(methylthio)-
- 3-(Methylthio)propionic acid
- 3-(Methylmercapto)propionic acid
- 3-(Methylmercapto)propanoic acid
- 3-Methylsulfanylpropionic acid
- 3-Methylthio-1-propanic acid
- 3-Methylsulfanylpropanoic acid
Work with 3-(Methylthio)propanoic acid
Similar compounds
Thiodipropionic acid111-17-161 % similar
3,3′-Dithiodipropionic acid1119-62-661 % similar
(Methylthio)acetic acid2444-37-358 % similar
Butyric acid107-92-654 % similar
Succinic acid110-15-652 % similar
4,4′-Dithiodibutyric acid2906-60-750 % similar
4-(Methylthio)-2-butanone34047-39-750 % similar
Glutaric acid110-94-148 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.