3-(Methylthio)hexanal

C₇H₁₄OSCAS 38433-74-8146.25 g/mol

Open in Covalent MOL file

Aldehyde Sulfide

Properties

Molecular formula: C₇H₁₄OS
Molar mass: 146.25 g/mol
Exact mass: 146.0765 Da
logP: 2.11Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Identifiers

CAS number

38433-74-8

SMILES

CCCC(CC=O)SC

InChIKey

VIVJHDGDCOQORO-UHFFFAOYSA-N

InChI

InChI=1S/C7H14OS/c1-3-4-7(9-2)5-6-8/h6-7H,3-5H2,1-2H3

Weigh it out

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

Names and synonyms

1 names

Hexanal, 3-(methylthio)-

Work with 3-(Methylthio)hexanal

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-(Methylthio)-1-hexanol51755-66-948 % similar 3-(Methylthio)butanal16630-52-747 % similar 3-(Methylthio)hexyl acetate51755-85-242 % similar Butyraldehyde123-72-836 % similar Isovaleraldehyde590-86-334 % similar 3-Methylpentanedial6280-15-534 % similar (±)-2-Methylpentanal123-15-934 % similar Pentanal110-62-333 % similar

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

Same formula

4-(Methylthio)-4-methyl-2-pentanone23550-40-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook