Cas no 123253-07-6 (2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide,4-hydroxy-6-methoxy-2-methyl-N-2-pyridinyl-, 1,1-dioxide)

2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide,4-hydroxy-6-methoxy-2-methyl-N-2-pyridinyl-, 1,1-dioxide structure
123253-07-6 structure
Product Name:2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide,4-hydroxy-6-methoxy-2-methyl-N-2-pyridinyl-, 1,1-dioxide
CAS No:123253-07-6
MF:C14H13N3O5S2
MW:367.40012049675
CID:174225
PubChem ID:54695518
Update Time:2025-04-19

2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide,4-hydroxy-6-methoxy-2-methyl-N-2-pyridinyl-, 1,1-dioxide Chemical and Physical Properties

Names and Identifiers

    • 2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide,4-hydroxy-6-methoxy-2-methyl-N-2-pyridinyl-, 1,1-dioxide
    • 4-hydroxy-6-methoxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide
    • 123253-07-6
    • 2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 4-hydroxy-6-methoxy-2-methyl-N-2-pyridinyl-, 1,1-dioxide
    • DTXSID20153921
    • Inchi: 1S/C14H13N3O5S2/c1-17-11(14(19)16-9-5-3-4-6-15-9)12(18)13-8(24(17,20)21)7-10(22-2)23-13/h3-7,18H,1-2H3,(H,15,16,19)
    • InChI Key: CQBCGDPZIVQZNQ-UHFFFAOYSA-N
    • SMILES: S1(C2C=C(OC)SC=2C(=C(C(NC2C=CC=CN=2)=O)N1C)O)(=O)=O

Computed Properties

  • Exact Mass: 367.02979
  • Monoisotopic Mass: 367.03
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 3
  • Complexity: 645
  • 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
  • Topological Polar Surface Area: 145A^2
  • XLogP3: 1.4

Experimental Properties

  • Density: 1.616
  • Boiling Point: 571.7°Cat760mmHg
  • Flash Point: 299.6°C
  • Refractive Index: 1.698
  • PSA: 108.83
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