Cas no 54466-75-0 (1H-Indole-3-thiol, 2-phenyl-)

1H-Indole-3-thiol, 2-phenyl- structure
1H-Indole-3-thiol, 2-phenyl- structure
Product Name:1H-Indole-3-thiol, 2-phenyl-
CAS No:54466-75-0
MF:C14H11NS
MW:225.308841943741
CID:354501
PubChem ID:12399018
Update Time:2025-04-19

1H-Indole-3-thiol, 2-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole-3-thiol, 2-phenyl-
    • 2-phenyl-1H-indole-3-thiol
    • 54466-75-0
    • SCHEMBL10936800
    • DTXSID50496378
    • Inchi: 1S/C14H11NS/c16-14-11-8-4-5-9-12(11)15-13(14)10-6-2-1-3-7-10/h1-9,15-16H
    • InChI Key: GSDOQISZWWRJRC-UHFFFAOYSA-N
    • SMILES: SC1C2C=CC=CC=2NC=1C1C=CC=CC=1

Computed Properties

  • Exact Mass: 225.06133
  • Monoisotopic Mass: 225.06122053g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 237
  • 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: 3.9
  • Topological Polar Surface Area: 16.8?2

Experimental Properties

  • PSA: 15.79
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