Cas no 5354-08-5 (5-(Methylthio)benzo[d][1,3]dioxole)

5-(Methylthio)benzo[d][1,3]dioxole structure
5354-08-5 structure
Product Name:5-(Methylthio)benzo[d][1,3]dioxole
CAS No:5354-08-5
MF:C8H8O2S
MW:168.212921142578
MDL:MFCD11617760
CID:843657
PubChem ID:13090147
Update Time:2025-04-19

5-(Methylthio)benzo[d][1,3]dioxole Chemical and Physical Properties

Names and Identifiers

    • 5-(Methylthio)benzo[d][1,3]dioxole
    • 1,3-Benzodioxole, 5-(methylthio)-
    • 5-(methylthio)-1,3-benzodioxole
    • BUKOTIQMZLCUGO-UHFFFAOYSA-N
    • G63739
    • 5-(Methylsulfanyl)-2H-1,3-benzodioxole
    • 5354-08-5
    • AKOS006315546
    • 5-methylsulfanyl-1,3-benzodioxole
    • SCHEMBL3464473
    • DB-332726
    • 3,4-(Methylenedioxy)phenyl methyl sulfide
    • DTXSID70517892
    • MDL: MFCD11617760
    • Inchi: 1S/C8H8O2S/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-4H,5H2,1H3
    • InChI Key: BUKOTIQMZLCUGO-UHFFFAOYSA-N
    • SMILES: S(C)C1C=CC2=C(C=1)OCO2

Computed Properties

  • Exact Mass: 168.02454
  • Monoisotopic Mass: 168.02450067g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 140
  • 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: 2.1
  • Topological Polar Surface Area: 43.8?2

Experimental Properties

  • PSA: 18.46

5-(Methylthio)benzo[d][1,3]dioxole Pricemore >>

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