S-Methyl thioacetate

C₃H₆OSCAS 1534-08-390.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₆OS
Molar mass: 90.14 g/mol
Exact mass: 90.0139 Da
Density: 1.017 g/mL (at 25 °C)
Boiling point: 98 °C
logP: 0.90Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

1534-08-3

SMILES

CSC(C)=O

InChIKey

OATSQCXMYKYFQO-UHFFFAOYSA-N

InChI

InChI=1S/C3H6OS/c1-3(4)5-2/h1-2H3

Weigh it out

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

Names and synonyms

6 names

Ethanethioic acid, S-methyl ester
Acetic acid, thio-, S-methyl ester
Methanethiol acetate
S-Methyl ethanethioate
S-Methylthioacetic acid
1-(Methylsulfanyl)ethan-1-one

Work with S-Methyl thioacetate

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

Same formula

(Methylthio)acetaldehyde23328-62-3

Elsewhere

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