chempirical

S-Methyl thiopropionate

C4H8OSCAS 5925-75-7104.17 g/mol

Open in Covalent MOL file
OS
Sulfide

Properties

Molecular formula
C4H8OS
Molar mass
104.17 g/mol
Exact mass
104.0296 Da
Boiling point
120–121 °C
logP
1.29Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
5925-75-7
SMILES
CCC(=O)SC
InChIKey
AIILTVHCLAEMDA-UHFFFAOYSA-N
InChI
InChI=1S/C4H8OS/c1-3-4(5)6-2/h3H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • Propanethioic acid, S-methyl ester
  • Propionic acid, thio-, S-methyl ester
  • S-Methyl propanethioate

Work with S-Methyl thiopropionate

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 butanethioate2432-51-157 % similar S-Ethyl propanethioate2432-42-052 % similar S-Methyl 3-methylbutanethioate23747-45-748 % similar S-Allyl thiopropionate41820-22-843 % similar Methylthiomethyl ethyl ketone13678-58-538 % similar 3,4-Hexanedione4437-51-838 % similar S,S'-Dimethyl dithiocarbonate868-84-838 % similar 3-Pentanone96-22-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-(Methylthio)-2-propanone14109-72-9 1,4-Oxathiane15980-15-1 Tetramethylene sulfoxide1600-44-8 Methional3268-49-3 3-Mercapto-2-butanone40789-98-8 S-Ethyl thioacetate625-60-5

Elsewhere

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