Cas no 7205-64-3 (Benzene, 1-[(1,1-dimethylethyl)thio]-4-methoxy-)

Benzene, 1-[(1,1-dimethylethyl)thio]-4-methoxy- structure
7205-64-3 structure
Product Name:Benzene, 1-[(1,1-dimethylethyl)thio]-4-methoxy-
CAS No:7205-64-3
MF:C11H16OS
MW:196.309142112732
MDL:MFCD22056034
CID:1752124
PubChem ID:641450
Update Time:2025-04-21

Benzene, 1-[(1,1-dimethylethyl)thio]-4-methoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-[(1,1-dimethylethyl)thio]-4-methoxy-
    • InChI=1/C11H16OS/c1-11(2,3)13-10-7-5-9(12-4)6-8-10/h5-8H,1-4H
    • 1-tert-butylsulfanyl-4-methoxybenzene
    • 1-(tert-butylthio)-4-methoxybenzene
    • 7205-64-3
    • HS-6263
    • 1-[(1,1-Dimethylethyl)thio]-4-methoxybenzene
    • 1-(tert-butylsulfanyl)-4-methoxybenzene
    • tert-Butyl 4-Methoxyphenyl sulfide
    • DTXSID401255638
    • SCHEMBL13802153
    • MDL: MFCD22056034
    • Inchi: 1S/C11H16OS/c1-11(2,3)13-10-7-5-9(12-4)6-8-10/h5-8H,1-4H3
    • InChI Key: KBJHGICMTCSJHI-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)OC)C(C)(C)C

Computed Properties

  • Exact Mass: 196.09228
  • Monoisotopic Mass: 196.09218630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 143
  • 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: 3.4
  • Topological Polar Surface Area: 34.5?2

Experimental Properties

  • PSA: 9.23
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