Cas no 333743-61-6 (Benzaldehyde, 3-methyl-4-(methylthio)-)

Benzaldehyde, 3-methyl-4-(methylthio)-, is a substituted aromatic aldehyde characterized by the presence of a methyl group at the 3-position and a methylthio group at the 4-position of the benzene ring. This structural modification enhances its reactivity and utility in organic synthesis, particularly in the preparation of heterocyclic compounds and flavor/fragrance intermediates. The methylthio moiety contributes to its distinct electronic properties, making it a valuable precursor in pharmaceuticals and agrochemicals. Its stability under standard conditions and compatibility with various reaction conditions further underscore its versatility. The compound is typically handled under controlled environments due to its potential sensitivity to oxidation.
Benzaldehyde, 3-methyl-4-(methylthio)- structure
333743-61-6 structure
Product Name:Benzaldehyde, 3-methyl-4-(methylthio)-
CAS No:333743-61-6
MF:C9H10OS
MW:166.240101337433
MDL:MFCD18887993
CID:1464920
PubChem ID:22671335
Update Time:2025-06-09

Benzaldehyde, 3-methyl-4-(methylthio)- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 3-methyl-4-(methylthio)-
    • 3-methyl-4-(methylthio)benzaldehyde
    • MFCD18887993
    • DB-304746
    • 3-methyl-4-methylsulfanylbenzaldehyde
    • AKOS013114554
    • SCHEMBL1575198
    • E91718
    • 6-(methylthio)-m-tolualdehyde
    • CS-0196258
    • UXRJWVPEEFHONQ-UHFFFAOYSA-N
    • 333743-61-6
    • MDL: MFCD18887993
    • Inchi: 1S/C9H10OS/c1-7-5-8(6-10)3-4-9(7)11-2/h3-6H,1-2H3
    • InChI Key: UXRJWVPEEFHONQ-UHFFFAOYSA-N
    • SMILES: S(C)C1C=CC(C=O)=CC=1C

Computed Properties

  • Exact Mass: 166.0453
  • Monoisotopic Mass: 166.04523611g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 136
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 42.4?2

Experimental Properties

  • PSA: 17.07

Benzaldehyde, 3-methyl-4-(methylthio)- Pricemore >>

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