Cas no 62349-93-3 (Naphtho[2,3-b]thiirene, 1a,2,7,7a-tetrahydro-)

Naphtho[2,3-b]thiirene, 1a,2,7,7a-tetrahydro- structure
62349-93-3 structure
Product Name:Naphtho[2,3-b]thiirene, 1a,2,7,7a-tetrahydro-
CAS No:62349-93-3
MF:C10H10S
MW:162.251401424408
CID:448356
PubChem ID:21485097
Update Time:2025-04-19

Naphtho[2,3-b]thiirene, 1a,2,7,7a-tetrahydro- Chemical and Physical Properties

Names and Identifiers

    • Naphtho[2,3-b]thiirene, 1a,2,7,7a-tetrahydro-
    • 1a,2,7,7a-tetrahydronaphtho[2,3-b]thiirene
    • SCHEMBL11725452
    • 62349-93-3
    • DTXSID80614588
    • Inchi: 1S/C10H10S/c1-2-4-8-6-10-9(11-10)5-7(8)3-1/h1-4,9-10H,5-6H2
    • InChI Key: WSXHDMRJBGEEKH-UHFFFAOYSA-N
    • SMILES: S1C2CC3C=CC=CC=3CC12

Computed Properties

  • Exact Mass: 162.0504
  • Monoisotopic Mass: 162.05032149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 148
  • 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: 2.8
  • Topological Polar Surface Area: 25.3?2

Experimental Properties

  • PSA: 0
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