Methyl 3-mercaptopropionate
Properties
- Molecular formula
- C4H8O2S
- Molar mass
- 120.17 g/mol
- Exact mass
- 120.0245 Da
- Melting point
- 38 °C
- Boiling point
- 166 °C
- logP
- 0.48Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H226 Flammable liquid and vapor47.9% of notifiers
- H301 Toxic if swallowed48.9% of notifiers
- H302 Harmful if swallowed41.5% of notifiers
- H312 Harmful in contact with skin47.9% of notifiers
- H319 Causes serious eye irritation10.6% of notifiers
- H330 Fatal if inhaled86.2% of notifiers
- H400 Very toxic to aquatic life39.4% of notifiers
- H410 Very toxic to aquatic life with long lasting effects43.6% of notifiers
Aggregated from 94 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P320, P321, P330, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
2935-90-2SMILES
COC(=O)CCSInChIKey
LDTLDBDUBGAEDT-UHFFFAOYSA-NInChI
InChI=1S/C4H8O2S/c1-6-4(5)2-3-7/h7H,2-3H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
14 names · show all
- Propanoic acid, 3-mercapto-, methyl ester
- Propionic acid, 3-mercapto-, methyl ester
- Methyl β-mercaptopropionate
- 3-Mercaptopropionic acid methyl ester
- Methyl 3-mercaptopropanoate
- 3-Mercaptopropanoic acid methyl ester
- NSC 137814
- 3-Thiopropanoic acid methyl ester
- β-Mercaptopropionic acid methyl ester
- MPM (thiol)
- MPM
- Methyl 3-mercaptopropionoate
- 3-Mercatopropropanoic acid methyl ester
- Methyl 3-sulfanylpropanoate
Work with Methyl 3-mercaptopropionate
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Dimethyl glutarate1119-40-071 % similar
Dimethyladipate627-93-068 % similar
Dimethyl succinate106-65-067 % similar
Dimethyl sebacate106-79-665 % similar
Dimethyl octadecanedioate1472-93-165 % similar
1,12-Dimethyl dodecanedioate1731-79-965 % similar
Dimethyl pimelate1732-08-765 % similar
Dimethyl suberate1732-09-865 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds