Cas no 16078-31-2 (Ethanethione,1-(2,3-dihydro-1H-indol-1-yl)-)

Ethanethione,1-(2,3-dihydro-1H-indol-1-yl)- structure
16078-31-2 structure
Product Name:Ethanethione,1-(2,3-dihydro-1H-indol-1-yl)-
CAS No:16078-31-2
MF:C10H11NS
MW:177.266041040421
CID:121397
PubChem ID:45118475
Update Time:2025-04-18

Ethanethione,1-(2,3-dihydro-1H-indol-1-yl)- Chemical and Physical Properties

Names and Identifiers

    • Ethanethione,1-(2,3-dihydro-1H-indol-1-yl)-
    • 1H-Indole, 2,3-dihydro-1-(1-thioxoethyl)- (9CI)
    • SCHEMBL11981335
    • 1-(2,3-dihydro-1H-indol-1-yl)ethane-1-thione
    • 1-(2,3-Dihydro-1H-indol-1-yl)ethanethione
    • DTXSID101270774
    • 16078-31-2
    • 1-(Indolin-1-yl)ethanethione
    • Inchi: 1S/C10H11NS/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3
    • InChI Key: ILWYEOOMJQVVHW-UHFFFAOYSA-N
    • SMILES: S=C(C)N1C2C=CC=CC=2CC1

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: 190
  • 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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