Cas no 6962-93-2 (1,3-Propanediol,2-ethyl-2-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-,1,3-bis(4-methylbenzenesulfonate))

1,3-Propanediol,2-ethyl-2-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-,1,3-bis(4-methylbenzenesulfonate) structure
6962-93-2 structure
Product Name:1,3-Propanediol,2-ethyl-2-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-,1,3-bis(4-methylbenzenesulfonate)
CAS No:6962-93-2
MF:C27H32O9S3
MW:596.732584953308
CID:505537
PubChem ID:243871
Update Time:2025-04-19

1,3-Propanediol,2-ethyl-2-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-,1,3-bis(4-methylbenzenesulfonate) Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediol,2-ethyl-2-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-,1,3-bis(4-methylbenzenesulfonate)
    • 2,2-bis[(4-methylphenyl)sulfonyloxymethyl]butyl 4-methylbenzenesulfonate
    • (1,1,1)-Tris-(p-Tosyloxymethyl)-Propan
    • 1-(toluene-4-sulfonyloxy)-2,2-bis-(toluene-4-sulfonyloxymethyl)-butane
    • 1-(Toluol-4-sulfonyloxy)-2,2-bis-(toluol-4-sulfonyloxymethyl)-butan
    • 1,1,1-tris(p-tosyloxymethyl)propane
    • 1,1,1-tris-(p-tosyloxymethyl)propane
    • 2,2-bis({[(4-methylphenyl)sulfonyl]oxy}methyl)butyl 4-methylbenzenesulfonate
    • AC1L6CIN
    • AC1Q6Y50
    • AG-K-43754
    • AR-1D1132
    • CTK5D0652
    • NSC54075
    • tris-O-(toluene-4-sulfonyl)-ettriol
    • SCHEMBL2058119
    • 6962-93-2
    • 2-Ethyl-2-((tosyloxy)methyl)propane-1,3-diyl bis(4-methylbenzenesulfonate)
    • NSC-54075
    • DTXSID30288091
    • NSC 54075
    • ONBDFMBZWWQABM-UHFFFAOYSA-N
    • Inchi： 1S/C27H32O9S3/c1-5-27(18-34-37(28,29)24-12-6-21(2)7-13-24,19-35-38(30,31)25-14-8-22(3)9-15-25)20-36-39(32,33)26-16-10-23(4)11-17-26/h6-17H,5,18-20H2,1-4H3
    • InChI Key： ONBDFMBZWWQABM-UHFFFAOYSA-N
    • SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)OCC(COS(C1C=CC(C)=CC=1)(=O)=O)(COS(C1C=CC(C)=CC=1)(=O)=O)CC

Computed Properties

  • Exact Mass: 596.12096
  • Monoisotopic Mass: 596.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 39
  • Rotatable Bond Count: 13
  • Complexity: 925
  • 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: 5.3
  • Topological Polar Surface Area: 155?2

Experimental Properties

  • Density: 1.314
  • Boiling Point: 746°Cat760mmHg
  • Flash Point: 405°C
  • Refractive Index: 1.572
  • PSA: 130.11
  • LogP: 7.76690

1,3-Propanediol,2-ethyl-2-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-,1,3-bis(4-methylbenzenesulfonate) Related Literature

6962-93-2 (1,3-Propanediol,2-ethyl-2-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-,1,3-bis(4-methylbenzenesulfonate)) Related Products

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