Cas no 123253-02-1 (2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide,6-chloro-2-methyl-4-[(2-oxido-1,3,2-dioxaphosphorinan-2-yl)oxy]-N-2-pyridinyl-,1,1-dioxide)

2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide,6-chloro-2-methyl-4-[(2-oxido-1,3,2-dioxaphosphorinan-2-yl)oxy]-N-2-pyridinyl-,1,1-dioxide structure
123253-02-1 structure
Product Name:2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide,6-chloro-2-methyl-4-[(2-oxido-1,3,2-dioxaphosphorinan-2-yl)oxy]-N-2-pyridinyl-,1,1-dioxide
CAS No:123253-02-1
MF:C16H15ClN3O7PS2
MW:491.862961053848
CID:205344
PubChem ID:3078938
Update Time:2025-04-19

2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide,6-chloro-2-methyl-4-[(2-oxido-1,3,2-dioxaphosphorinan-2-yl)oxy]-N-2-pyridinyl-,1,1-dioxide Chemical and Physical Properties

Names and Identifiers

    • 2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide,6-chloro-2-methyl-4-[(2-oxido-1,3,2-dioxaphosphorinan-2-yl)oxy]-N-2-pyridinyl-,1,1-dioxide
    • 2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide,6-chloro-2-methyl-4-[(2-oxido-1,3,2-dioxaphosphorinan-2-yl)oxy]-N-2-pyridinyl-,1,
    • 6-chloro-2-methyl-1,1-dioxo-4-[(2-oxo-1,3,2λ<sup>5</sup>-dioxaphosphinan-2-yl)oxy]-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide
    • 2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-4-(1,3,2-dioxaphosphorinan-2-yloxy)-2-methyl-N-pyridinyl-, P,1,1-trioxide
    • DTXSID30153917
    • 123253-02-1
    • Inchi： 1S/C16H15ClN3O7PS2/c1-20-13(16(21)19-12-5-2-3-6-18-12)14(27-28(22)25-7-4-8-26-28)15-10(30(20,23)24)9-11(17)29-15/h2-3,5-6,9H,4,7-8H2,1H3,(H,18,19,21)
    • InChI Key： PYWHYRLCIYHAEJ-UHFFFAOYSA-N
    • SMILES： ClC1=CC2=C(C(=C(C(NC3C=CC=CN=3)=O)N(C)S2(=O)=O)OP2(=O)OCCCO2)S1

Computed Properties

  • Exact Mass: 490.97795
  • Monoisotopic Mass: 490.978
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 4
  • Complexity: 871
  • 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: 1.5
  • Topological Polar Surface Area: 161?2

Experimental Properties

  • Density: 1.71
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.677
  • PSA: 124.13
  • LogP: 4.96770

2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide,6-chloro-2-methyl-4-[(2-oxido-1,3,2-dioxaphosphorinan-2-yl)oxy]-N-2-pyridinyl-,1,1-dioxide Related Literature

123253-02-1 (2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide,6-chloro-2-methyl-4-[(2-oxido-1,3,2-dioxaphosphorinan-2-yl)oxy]-N-2-pyridinyl-,1,1-dioxide) Related Products

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