Cas no 5465-84-9 (phenyl 2,4,6-trimethylbenzene-1-sulfonate)

phenyl 2,4,6-trimethylbenzene-1-sulfonate structure
5465-84-9 structure
Product Name:phenyl 2,4,6-trimethylbenzene-1-sulfonate
CAS No:5465-84-9
MF:C15H16O3S
MW:276.350743293762
CID:382027
PubChem ID:230708
Update Time:2025-08-05

phenyl 2,4,6-trimethylbenzene-1-sulfonate Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,2,4,6-trimethyl-, phenyl ester
    • phenyl 2,4,6-trimethylbenzenesulfonate
    • 2,4,6-trimethyl-benzenesulfonic acid phenyl ester
    • 2,4,6-Trimethyl-benzolsulfonsaeure-phenylester
    • AC1L5K44
    • AC1Q6Y09
    • AR-1L0403
    • CTK5A2130
    • mesitylenesulfonic acid phenylester
    • NSC25848
    • phenyl mesitylenesulfonate
    • Phenylmesitylensulfonat
    • phenyl 2,4,6-trimethylbenzene-1-sulfonate
    • DTXSID70282437
    • 5465-84-9
    • AKOS008677804
    • F3386-5142
    • NSC-25848
    • SCHEMBL2024083
    • BBTGZLICINVWQG-UHFFFAOYSA-N
    • Inchi: 1S/C15H16O3S/c1-11-9-12(2)15(13(3)10-11)19(16,17)18-14-7-5-4-6-8-14/h4-10H,1-3H3
    • InChI Key: BBTGZLICINVWQG-UHFFFAOYSA-N
    • SMILES: S(C1C(C)=CC(C)=CC=1C)(=O)(=O)OC1C=CC=CC=1

Computed Properties

  • Exact Mass: 276.08208
  • Monoisotopic Mass: 276.08201554g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 367
  • 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: 4.1
  • Topological Polar Surface Area: 51.8?2

Experimental Properties

  • PSA: 43.37
  • LogP: 4.46030

phenyl 2,4,6-trimethylbenzene-1-sulfonate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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