Cas no 110-92-9 (Sulfuric acid,monopentyl ester)

Sulfuric acid,monopentyl ester structure
110-92-9 structure
Product Name:Sulfuric acid,monopentyl ester
CAS No:110-92-9
MF:C5H12O4S
MW:168.211380958557
CID:147244
PubChem ID:68398
Update Time:2025-04-19

Sulfuric acid,monopentyl ester Chemical and Physical Properties

Names and Identifiers

    • Sulfuric acid,monopentyl ester
    • Pentylsulfate (6CI)
    • pentyl hydrogen sulfate
    • Pentylsulfate
    • Sulfuric acid pentyl ester
    • Sulfuric acid hydrogen pentyl ester
    • Sulfuric acid, monopentyl ester
    • SCHEMBL126129
    • DTXSID70149091
    • CHEMBL2111075
    • 110-92-9
    • UNII-T5D5NH8DMR
    • T5D5NH8DMR
    • Monopentyl sulfate
    • Amylosulfuric Acid
    • Amylschwefelsaure
    • Pentyl sulfate
    • Inchi: 1S/C5H12O4S/c1-2-3-4-5-9-10(6,7)8/h2-5H2,1H3,(H,6,7,8)
    • InChI Key: ZIRHAFGGEBQZKX-UHFFFAOYSA-N
    • SMILES: S(=O)(=O)(O)OCCCCC

Computed Properties

  • Exact Mass: 167.03783
  • Monoisotopic Mass: 168.04563003g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 155
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1
  • Topological Polar Surface Area: 72?2

Experimental Properties

  • PSA: 66.43

Sulfuric acid,monopentyl ester Related Literature

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