(Methylthio)acetaldehyde

C3H6OSCAS 23328-62-390.14 g/mol

Open in Covalent MOL file
SO
AldehydeSulfide

Properties

Molecular formula
C3H6OS
Molar mass
90.14 g/mol
Exact mass
90.0139 Da
Density
1.0591 g/mL (at 20 °C)
Boiling point
125–138 °C
logP
0.55Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Not classified as hazardous under GHS by 92 ECHA notifiers. Aggregated from 92 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
23328-62-3
SMILES
CSCC=O
InChIKey
NCNSBFDGXBKAKB-UHFFFAOYSA-N
InChI
InChI=1S/C3H6OS/c1-5-3-2-4/h2H,3H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Acetaldehyde, 2-(methylthio)-
  • Acetaldehyde, (methylthio)-
  • 2-(Methylthio)acetaldehyde
  • 2-(Methylmercapto)acetaldehyde
  • 2-(Methylsulfanyl)acetaldehyde
  • Methylthioacetaldehyde

Work with (Methylthio)acetaldehyde

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

Methional3268-49-352 % similar Allyl methyl sulfide10152-76-843 % similar Propionaldehyde123-38-635 % similar 3-(Methylthio)butanal16630-52-735 % similar 2,4-Dithiapentane1618-26-433 % similar Succinaldehyde638-37-933 % similar Butyraldehyde123-72-832 % similar 4-Pentenal2100-17-630 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

S-Methyl thioacetate1534-08-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook