Cas no 50791-21-4 (1-(1,3-dithiolan-2-yl)pentane-1,2,3,4,5-pentol)

1-(1,3-dithiolan-2-yl)pentane-1,2,3,4,5-pentol structure
50791-21-4 structure
Product Name:1-(1,3-dithiolan-2-yl)pentane-1,2,3,4,5-pentol
CAS No:50791-21-4
MF:C8H16O5S2
MW:256.339640617371
CID:934269
PubChem ID:285681
Update Time:2025-04-19

1-(1,3-dithiolan-2-yl)pentane-1,2,3,4,5-pentol Chemical and Physical Properties

Names and Identifiers

    • 1-(1,3-dithiolan-2-yl)pentane-1,2,3,4,5-pentol
    • d-Glucose ethylene thioketal
    • NSC-158947
    • 16732-29-9
    • NSC158947
    • 50791-21-4
    • NS00048380
    • AU-059/43516942
    • SCHEMBL6689261
    • D-Glucose, cyclic ethylene mercaptal
    • D-Glucose ethylene dithioacetal
    • LOVIILREBFKRIA-UHFFFAOYSA-N
    • AKOS005166960
    • D-Glucose, ethylenedithioacetal
    • NSC-143002
    • NSC-143003
    • 1-(1,3-dithiolan-2-yl)-1,2,3,4,5-pentanepentol
    • D-Glucose, cyclic 1,2-ethanediyl mercaptal
    • D-Glucose,2-ethanediyl mercaptal
    • NSC143002
    • NSC143003
    • Inchi: 1S/C8H16O5S2/c9-3-4(10)5(11)6(12)7(13)8-14-1-2-15-8/h4-13H,1-3H2
    • InChI Key: LOVIILREBFKRIA-UHFFFAOYSA-N
    • SMILES: S1CCSC1C(C(C(C(CO)O)O)O)O

Computed Properties

  • Exact Mass: 256.04400
  • Monoisotopic Mass: 256.04391595g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 188
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.7
  • Topological Polar Surface Area: 152?2

Experimental Properties

  • PSA: 151.75000
  • LogP: -1.77160
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