S-Ethyl propanethioate
Properties
- Molecular formula
- C5H10OS
- Molar mass
- 118.19 g/mol
- Exact mass
- 118.0452 Da
- Density
- 0.9639 g/mL (at 0 °C)
- Melting point
- −95 °C
- Boiling point
- 130–132 °C
- logP
- 1.68Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
2432-42-0SMILES
CCSC(=O)CCInChIKey
HNEVHBHRLCAKKQ-UHFFFAOYSA-NInChI
InChI=1S/C5H10OS/c1-3-5(6)7-4-2/h3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Propanethioic acid, S-ethyl ester
- Propionic acid, thio-, S-ethyl ester
- S-Ethyl thiopropanoate
- NSC 159051
- S-Ethyl thiopropionate
- 1-(Ethylsulfanyl)propan-1-one
Work with S-Ethyl propanethioate
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
S-Methyl thiopropionate5925-75-752 % similar
S-Allyl thiopropionate41820-22-852 % similar
Ethyl chlorothioformate2941-64-246 % similar
S-Ethyl thioacetate625-60-546 % similar
Furfuryl thiopropionate59020-85-841 % similar
Ethylthiol trifluoroacetate383-64-239 % similar
Molinate2212-67-137 % similar
S-Ethyl dipropylthiocarbamate759-94-437 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds