Cas no 110129-24-3 (Dibenzo[c,e]thiepin-5-carboxamide,5,7-dihydro-N-methyl-, 6,6-dioxide)

Dibenzo[c,e]thiepin-5-carboxamide,5,7-dihydro-N-methyl-, 6,6-dioxide structure
110129-24-3 structure
Product Name:Dibenzo[c,e]thiepin-5-carboxamide,5,7-dihydro-N-methyl-, 6,6-dioxide
CAS No:110129-24-3
MF:C16H15NO3S
MW:301.360203027725
CID:189732
PubChem ID:3066354
Update Time:2025-04-19

Dibenzo[c,e]thiepin-5-carboxamide,5,7-dihydro-N-methyl-, 6,6-dioxide Chemical and Physical Properties

Names and Identifiers

    • Dibenzo[c,e]thiepin-5-carboxamide,5,7-dihydro-N-methyl-, 6,6-dioxide
    • N-methyl-6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepine-5-carboxamide
    • AC1MIBM5
    • ACMC-20mcye
    • AG-D-27368
    • BRN 4501361
    • CTK4A6789
    • Dibenzo(c,e)thiepin-5-carboxamide, 5,7-dihydro-N-methyl-, 6,6-dioxide
    • N-Methyl-6,6-dioxido-5,7-dihydrodibenzo(c,e)thiepin-5-carboxamide
    • N-methyl-6,6-dioxido-5,7-dihydrodibenzo[c,e]thiepin-5-carboxamide
    • N-methyl-6,6-dioxido-5,7-dihydrodibenzo< c,e> thiepin-5-carboxamide
    • Oprea1_211296
    • 110129-24-3
    • DTXSID20911503
    • N-Methyl-6,6-dioxo-6,7-dihydro-5H-6lambda~6~-dibenzo[c,e]thiepine-5-carboximidic acid
    • Inchi: 1S/C16H15NO3S/c1-17-16(18)15-14-9-5-4-8-13(14)12-7-3-2-6-11(12)10-21(15,19)20/h2-9,15H,10H2,1H3,(H,17,18)
    • InChI Key: MSOSRGKXOUYZDF-UHFFFAOYSA-N
    • SMILES: S1(CC2C=CC=CC=2C2C=CC=CC=2C1C(NC)=O)(=O)=O

Computed Properties

  • Exact Mass: 301.07735
  • Monoisotopic Mass: 301.077264
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 1
  • Complexity: 496
  • 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
  • Topological Polar Surface Area: 71.6
  • XLogP3: 2.4

Experimental Properties

  • Density: 1.307
  • Boiling Point: 663.7°C at 760 mmHg
  • Flash Point: 355.2°C
  • Refractive Index: 1.615
  • PSA: 63.24
  • LogP: 3.99020
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