chempirical

4-(Methylthio)benzaldehyde

C8H8OSCAS 3446-89-7152.21 g/mol

Open in Covalent MOL file
SO
AldehydeSulfide

Properties

Molecular formula
C8H8OS
Molar mass
152.21 g/mol
Exact mass
152.0296 Da
Boiling point
273 °C
logP
2.22Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
3446-89-7
SMILES
CSc1ccc(C=O)cc1
InChIKey
QRVYABWJVXXOTN-UHFFFAOYSA-N
InChI
InChI=1S/C8H8OS/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3

Weigh it out

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

Names and synonyms

9 names
  • Benzaldehyde, 4-(methylthio)-
  • Benzaldehyde, p-(methylthio)-
  • p-(Methylthio)benzaldehyde
  • 4-(Methylmercapto)benzaldehyde
  • Methyl 4-formylphenyl thioether
  • 4-Methylsulfanylbenzaldehyde
  • 4-Methanethiobenzaldehyde
  • 4-Methanesulfanylbenzaldehyde
  • 4-Formylthioanisole

Work with 4-(Methylthio)benzaldehyde

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

4′-(Methylthio)[1,1′-biphenyl]-4-carboxaldehyde221018-02-688 % similar 1,4-Benzenedicarboxaldehyde623-27-857 % similar 4-(Phenylthio)benzaldehyde1208-88-454 % similar 4-Methylbenzaldehyde104-87-050 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-850 % similar Methyl P-tolyl sulfide623-13-246 % similar Cuminaldehyde122-03-245 % similar 4-Anisaldehyde123-11-545 % similar

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

Same formula

6,7-Dihydrobenzo[B]thiophen-4(5H)-one13414-95-4 Cyclopropyl-2-thienylmethanone6193-47-1 4-(2-Thienyl)-3-buten-2-one874-83-9 Phenyl thioacetate934-87-2

Elsewhere

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