Cas no 62291-63-8 (Benzene, 1-methoxy-4-(propylthio)-)

Benzene, 1-methoxy-4-(propylthio)-, is a sulfur-containing aromatic compound characterized by the presence of a methoxy group and a propylthio substituent on the benzene ring. This structure imparts unique reactivity and solubility properties, making it valuable in organic synthesis and specialty chemical applications. The compound's thioether linkage enhances its utility as an intermediate in the preparation of more complex sulfur-functionalized molecules. Its balanced lipophilicity and electron-donating effects from the methoxy group contribute to its effectiveness in catalytic and material science applications. The compound is typically handled under controlled conditions due to its potential sensitivity to oxidation.
Benzene, 1-methoxy-4-(propylthio)- structure
62291-63-8 structure
Product Name:Benzene, 1-methoxy-4-(propylthio)-
CAS No:62291-63-8
MF:C10H14OS
MW:182.282561779022
CID:450543
PubChem ID:12321332
Update Time:2025-06-08

Benzene, 1-methoxy-4-(propylthio)- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-methoxy-4-(propylthio)-
    • 1-methoxy-4-propylsulfanylbenzene
    • DTXSID10488613
    • SCHEMBL6123648
    • 62291-63-8
    • 1-Methoxy-4-(propylthio)-benzene
    • 1-Methoxy-4-(propylsulfanyl)benzene
    • MDL: MFCD26958718
    • Inchi: 1S/C10H14OS/c1-3-8-12-10-6-4-9(11-2)5-7-10/h4-7H,3,8H2,1-2H3
    • InChI Key: LGERTTXLZNHNAI-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)OC)CCC

Computed Properties

  • Exact Mass: 182.07662
  • Monoisotopic Mass: 182.07653624g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 108
  • 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: 3.3
  • Topological Polar Surface Area: 34.5?2

Experimental Properties

  • PSA: 9.23

Benzene, 1-methoxy-4-(propylthio)- Pricemore >>

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