Cas no 3955-72-4 (3-methylphenyl 4-methylbenzenesulfonate)

3-methylphenyl 4-methylbenzenesulfonate structure
3955-72-4 structure
Product Name:3-methylphenyl 4-methylbenzenesulfonate
CAS No:3955-72-4
MF:C14H14O3S
MW:262.324162960052
CID:924679
PubChem ID:347813
Update Time:2025-04-19

3-methylphenyl 4-methylbenzenesulfonate Chemical and Physical Properties

Names and Identifiers

    • 3-methylphenyl 4-methylbenzenesulfonate
    • (3-methylphenyl) 4-methylbenzenesulfonate
    • 3-methylphenyl tosylate
    • 3-methylphenyl tosylsulfonate
    • AC1L885Z
    • AE-848
    • m-tolyl 4-methylbenzenesulfonate
    • m-tolyl tosylate
    • NSC406684
    • p-Toluenesulfonic acid, m-tolyl ester
    • toluene-4-sulfonic acid m-tolyl ester
    • Toluol-4-sulfonsaeure-m-tolylester
    • HS-5758
    • DTXSID30324423
    • 3955-72-4
    • AE-848/33607002
    • 3-Methylphenyl 4-methylbenzene-1-sulfonate
    • EN300-7016875
    • m-tolyl p-toluenesulphonate
    • NSC-406684
    • SCHEMBL4138555
    • Inchi: 1S/C14H14O3S/c1-11-6-8-14(9-7-11)18(15,16)17-13-5-3-4-12(2)10-13/h3-10H,1-2H3
    • InChI Key: VIKTUZZYGHKELS-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=CC=1)(=O)(=O)OC1=CC=CC(C)=C1

Computed Properties

  • Exact Mass: 262.06642
  • Monoisotopic Mass: 262.06636548g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 350
  • 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: 3.8
  • Topological Polar Surface Area: 51.8?2

Experimental Properties

  • PSA: 43.37

3-methylphenyl 4-methylbenzenesulfonate Pricemore >>

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