Cas no 857856-22-5 (BICYCLO[2.2.2]OCTANE-1-THIOL)

BICYCLO[2.2.2]OCTANE-1-THIOL structure
BICYCLO[2.2.2]OCTANE-1-THIOL structure
Product Name:BICYCLO[2.2.2]OCTANE-1-THIOL
CAS No:857856-22-5
MF:C8H14S
MW:142.261761188507
CID:3408941
PubChem ID:86060168
Update Time:2025-04-21

BICYCLO[2.2.2]OCTANE-1-THIOL Chemical and Physical Properties

Names and Identifiers

    • BICYCLO[2.2.2]OCTANE-1-THIOL
    • 857856-22-5
    • Inchi: 1S/C8H14S/c9-8-4-1-7(2-5-8)3-6-8/h7,9H,1-6H2
    • InChI Key: KLCGFYRTUDRWSD-UHFFFAOYSA-N
    • SMILES: SC12CCC(CC1)CC2

Computed Properties

  • Exact Mass: 142.08162162Da
  • Monoisotopic Mass: 142.08162162Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 98
  • 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: 2.3
  • Topological Polar Surface Area: 1?2
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