Cas no 24321-78-6 (thiocyanic acid, 2-cyclopentylethyl ester (8ci))

thiocyanic acid, 2-cyclopentylethyl ester (8ci) structure
24321-78-6 structure
Product Name:thiocyanic acid, 2-cyclopentylethyl ester (8ci)
CAS No:24321-78-6
MF:C8H13NS
MW:155.26052069664
CID:913019
PubChem ID:45098413
Update Time:2025-04-19

thiocyanic acid, 2-cyclopentylethyl ester (8ci) Chemical and Physical Properties

Names and Identifiers

    • thiocyanic acid, 2-cyclopentylethyl ester (8ci)
    • 2-cyclopentylethyl thiocyanate
    • 24321-78-6
    • DTXSID70667689
    • Inchi: 1S/C8H13NS/c9-7-10-6-5-8-3-1-2-4-8/h8H,1-6H2
    • InChI Key: HXLLOVXHYNEUNR-UHFFFAOYSA-N
    • SMILES: S(C#N)CCC1CCCC1

Computed Properties

  • Exact Mass: 155.07687059g/mol
  • Monoisotopic Mass: 155.07687059g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 129
  • 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: 3.5
  • Topological Polar Surface Area: 49.1?2
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