Cas no 156136-68-4 (2H-Indole-2-thione,1,3-dihydro-1,7-dimethyl-)

2H-Indole-2-thione,1,3-dihydro-1,7-dimethyl- structure
156136-68-4 structure
Product Name:2H-Indole-2-thione,1,3-dihydro-1,7-dimethyl-
CAS No:156136-68-4
MF:C10H11NS
MW:177.266041040421
CID:107272
PubChem ID:10080933
Update Time:2025-04-18

2H-Indole-2-thione,1,3-dihydro-1,7-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 2H-Indole-2-thione,1,3-dihydro-1,7-dimethyl-
    • 2H-Indole-2-thione, 1,3-dihydro-1,7-dimethyl-
    • 1,7-Dimethylindoline-2-thione
    • 156136-68-4
    • SCHEMBL8999234
    • 1,7-dimethyl-3H-indole-2-thione
    • Inchi: 1S/C10H11NS/c1-7-4-3-5-8-6-9(12)11(2)10(7)8/h3-5H,6H2,1-2H3
    • InChI Key: XLMJIVRCRGDYHT-UHFFFAOYSA-N
    • SMILES: S=C1CC2C=CC=C(C)C=2N1C

Computed Properties

  • Exact Mass: 177.06133
  • Monoisotopic Mass: 177.06122053g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 202
  • 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: 1.9
  • Topological Polar Surface Area: 35.3?2

Experimental Properties

  • PSA: 3.24
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