Cas no 61860-22-8 (6-Thiabicyclo[3.2.1]octane, 5-methyl-)

6-Thiabicyclo[3.2.1]octane, 5-methyl- structure
61860-22-8 structure
Product Name:6-Thiabicyclo[3.2.1]octane, 5-methyl-
CAS No:61860-22-8
MF:C8H14S
MW:142.261761188507
CID:464358
PubChem ID:12299214
Update Time:2025-04-19

6-Thiabicyclo[3.2.1]octane, 5-methyl- Chemical and Physical Properties

Names and Identifiers

    • 6-Thiabicyclo[3.2.1]octane, 5-methyl-
    • 5-methyl-6-thiabicyclo[3.2.1]octane
    • 61860-22-8
    • DTXSID80486166
    • Inchi: 1S/C8H14S/c1-8-4-2-3-7(5-8)6-9-8/h7H,2-6H2,1H3
    • InChI Key: KWFGSOGPKBXFMB-UHFFFAOYSA-N
    • SMILES: S1CC2CCCC1(C)C2

Computed Properties

  • Exact Mass: 142.08172
  • Monoisotopic Mass: 142.08162162g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 122
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 25.3?2

Experimental Properties

  • PSA: 0
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