Cas no 261361-38-0 (Benzaldehyde, 2-(hexylthio)-)

Benzaldehyde, 2-(hexylthio)- structure
Benzaldehyde, 2-(hexylthio)- structure
Product Name:Benzaldehyde, 2-(hexylthio)-
CAS No:261361-38-0
MF:C13H18OS
MW:222.346422672272
MDL:MFCD16293482
CID:1425813
PubChem ID:15875587
Update Time:2025-04-20

Benzaldehyde, 2-(hexylthio)- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 2-(hexylthio)-
    • 2-(n-Hexylthio)benzaldehyde
    • 2-hexylsulfanylbenzaldehyde
    • 261361-38-0
    • 2-(Hexylthio)benzaldehyde
    • MDL: MFCD16293482
    • Inchi: 1S/C13H18OS/c1-2-3-4-7-10-15-13-9-6-5-8-12(13)11-14/h5-6,8-9,11H,2-4,7,10H2,1H3
    • InChI Key: RUBSFJSAVGHPQE-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1C=O)CCCCCC

Computed Properties

  • Exact Mass: 222.10794
  • Monoisotopic Mass: 222.10783637g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 7
  • Complexity: 170
  • 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: 4.2
  • Topological Polar Surface Area: 42.4?2

Experimental Properties

  • PSA: 17.07

Benzaldehyde, 2-(hexylthio)- Pricemore >>

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