Cas no 1490552-72-1 (1-(Cyclohexylsulfanyl)cyclobutane-1-carboxylic acid)

1-(Cyclohexylsulfanyl)cyclobutane-1-carboxylic acid structure
1490552-72-1 structure
Product Name:1-(Cyclohexylsulfanyl)cyclobutane-1-carboxylic acid
CAS No:1490552-72-1
MF:C11H18O2S
MW:214.324422359467
CID:5697201
PubChem ID:65139919
Update Time:2023-10-14

1-(Cyclohexylsulfanyl)cyclobutane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • AKOS014473176
    • EN300-1122507
    • 1-(Cyclohexylthio)cyclobutane-1-carboxylic acid
    • 1490552-72-1
    • CS-0288423
    • 1-(cyclohexylsulfanyl)cyclobutane-1-carboxylicacid
    • 1-(cyclohexylsulfanyl)cyclobutane-1-carboxylic acid
    • Cyclobutanecarboxylic acid, 1-(cyclohexylthio)-
    • 1-(Cyclohexylsulfanyl)cyclobutane-1-carboxylic acid
    • Inchi: 1S/C11H18O2S/c12-10(13)11(7-4-8-11)14-9-5-2-1-3-6-9/h9H,1-8H2,(H,12,13)
    • InChI Key: SWKAWXJQDUDWQC-UHFFFAOYSA-N
    • SMILES: S(C1CCCCC1)C1(C(=O)O)CCC1

Computed Properties

  • Exact Mass: 214.10275099g/mol
  • Monoisotopic Mass: 214.10275099g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 217
  • 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
  • Topological Polar Surface Area: 62.6?2

Experimental Properties

  • Density: 1.17±0.1 g/cm3(Predicted)
  • Boiling Point: 366.5±25.0 °C(Predicted)
  • pka: 3.82±0.20(Predicted)

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