Cas no 23730-24-7 (Benzenesulfinic acid,4-methyl-, cyclohexyl ester)

Benzenesulfinic acid,4-methyl-, cyclohexyl ester structure
23730-24-7 structure
Product Name:Benzenesulfinic acid,4-methyl-, cyclohexyl ester
CAS No:23730-24-7
MF:C13H18O2S
MW:238.345822811127
CID:284987
PubChem ID:289143
Update Time:2025-04-19

Benzenesulfinic acid,4-methyl-, cyclohexyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfinic acid,4-methyl-, cyclohexyl ester
    • cyclohexyl 4-methylbenzenesulfinate
    • AC1L6B17
    • AC1Q6YPO
    • AG-J-41591
    • AR-1I3084
    • CTK4F2127
    • cyclohexyl p-toluenesulfinate
    • cyclohexyl p-toluenesulfonate
    • cyclohexyl p-toluensulfonate
    • NSC150800
    • p-Toluolsulfinsaeure-cyclohexylester
    • SCHEMBL19380327
    • NSC-150800
    • 23730-24-7
    • DTXSID60302390
    • Inchi: 1S/C13H18O2S/c1-11-7-9-13(10-8-11)16(14)15-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3
    • InChI Key: VKFPIMGZISHRBX-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=CC=1)(=O)OC1CCCCC1

Computed Properties

  • Exact Mass: 238.10284
  • Monoisotopic Mass: 238.103
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 228
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 45.5?2

Experimental Properties

  • Density: 1.17
  • Boiling Point: 366.9°C at 760 mmHg
  • Flash Point: 175.7°C
  • Refractive Index: 1.58
  • PSA: 26.3
  • LogP: 4.23260
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