Cas no 24330-56-1 (1,3-Propanediol,2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate))

1,3-Propanediol,2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate) structure
24330-56-1 structure
Product Name:1,3-Propanediol,2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate)
CAS No:24330-56-1
MF:C21H28O6S2
MW:440.573424339294
CID:263980
PubChem ID:342231
Update Time:2025-04-19

1,3-Propanediol,2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate) Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediol,2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate)
    • [3,3-dimethyl-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] 4-methylbenzenesulfonate
    • 2-t-Butyl-1,3-propandiol-ditosylat
    • 2-tert-butyl-1,3-propanediol di-p-tosylate
    • 2-tert-Butyl-1.3-propandiol-ditosylat
    • 2-tert-Butyl-propandiol-1,3-ditosylat
    • 3,3-dimethyl-1-(toluene-4-sulfonyloxy)-2-(toluene-4-sulfonyloxymethyl)-butane
    • AC1L7VPO
    • NSC378219
    • 24330-56-1
    • SCHEMBL17460423
    • NSC 378219
    • DTXSID30321578
    • NSC-378219
    • Inchi： 1S/C21H28O6S2/c1-16-6-10-19(11-7-16)28(22,23)26-14-18(21(3,4)5)15-27-29(24,25)20-12-8-17(2)9-13-20/h6-13,18H,14-15H2,1-5H3
    • InChI Key： OEBLYZFSZBMRJT-UHFFFAOYSA-N
    • SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)OCC(COS(C1C=CC(C)=CC=1)(=O)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 440.13284
  • Monoisotopic Mass: 440.133
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 9
  • Complexity: 640
  • 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: 4.9
  • Topological Polar Surface Area: 104?2

Experimental Properties

  • Density: 1.216
  • Boiling Point: 582.2°Cat760mmHg
  • Flash Point: 305.9°C
  • Refractive Index: 1.543
  • PSA: 86.74
  • LogP: 6.23810

1,3-Propanediol,2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate) Related Literature

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