Cas no 102232-95-1 (3H-Pyrido[3,4-b]indole,1-(ethylthio)-4,9-dihydro-3-methyl-)

3H-Pyrido[3,4-b]indole,1-(ethylthio)-4,9-dihydro-3-methyl- structure
102232-95-1 structure
Product Name:3H-Pyrido[3,4-b]indole,1-(ethylthio)-4,9-dihydro-3-methyl-
CAS No:102232-95-1
MF:C14H16N2S
MW:244.355241775513
CID:198695
PubChem ID:24844830
Update Time:2025-04-19

3H-Pyrido[3,4-b]indole,1-(ethylthio)-4,9-dihydro-3-methyl- Chemical and Physical Properties

Names and Identifiers

    • 3H-Pyrido[3,4-b]indole,1-(ethylthio)-4,9-dihydro-3-methyl-
    • 1-ethylsulfanyl-3-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
    • BRN 0752237
    • 9H-Pyrido(3,4-b)indole, 3,4-dihydro-1-ethylthio-3-methyl-
    • 5-23-12-00148 (Beilstein Handbook Reference)
    • 102232-95-1
    • 1-(Ethylsulfanyl)-3-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
    • DTXSID60907263
    • 1-Ethylthio-3-methyl-3,4-dihydro-9H-pyrido(3,4-b)indole
    • Inchi: 1S/C14H16N2S/c1-3-17-14-13-11(8-9(2)15-14)10-6-4-5-7-12(10)16-13/h4-7,9,16H,3,8H2,1-2H3
    • InChI Key: YBCJUVYPGUPSCL-UHFFFAOYSA-N
    • SMILES: S(CC)C1C2=C(C3C=CC=CC=3N2)CC(C)N=1

Computed Properties

  • Exact Mass: 244.10342g/mol
  • Monoisotopic Mass: 244.10342g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 315
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 244.36g/mol
  • XLogP3: 3.5
  • Topological Polar Surface Area: 53.4?2

3H-Pyrido[3,4-b]indole,1-(ethylthio)-4,9-dihydro-3-methyl- Related Literature

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