Cas no 868393-66-2 (2H-Thieno[2,3-e]-1,2-thiazine-3-carboxylicacid, 4-hydroxy-2-methyl-, 1,1-dioxide)

2H-Thieno[2,3-e]-1,2-thiazine-3-carboxylicacid, 4-hydroxy-2-methyl-, 1,1-dioxide structure
868393-66-2 structure
Product Name:2H-Thieno[2,3-e]-1,2-thiazine-3-carboxylicacid, 4-hydroxy-2-methyl-, 1,1-dioxide
CAS No:868393-66-2
MF:C8H7NO5S2
MW:261.274879693985
CID:718965
PubChem ID:57346001
Update Time:2025-04-19

2H-Thieno[2,3-e]-1,2-thiazine-3-carboxylicacid, 4-hydroxy-2-methyl-, 1,1-dioxide Chemical and Physical Properties

Names and Identifiers

    • 2H-Thieno[2,3-e]-1,2-thiazine-3-carboxylicacid, 4-hydroxy-2-methyl-, 1,1-dioxide
    • Methyl 4-hydroxy-2-methyl-2H-thieno[2,3-e][1,2]-thiazine-3-carboxylate 1,1-dioxide
    • methyl 4-hydroxy-2-methyl-2H-thieno[2,3-e][1,2]thiazine-3-carboxylate 1,1-dioxide
    • 4-hydroxy-2-methylthieno[2,3-e][1,2]thiazine-3-carboxylic acid 1,1-dioxide
    • 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylic acid
    • 4-Hydroxy-2-methyl-2H-thieno[2,3-e][1,2]thiazine-3-carboxylic acid 1,1-dioxide
    • methyl4-hydroxy-2-methyl-2H-thieno[2,3-e][1,2]thiazine-3-carboxylate1,1-dioxide
    • 868393-66-2
    • Inchi: 1S/C8H7NO5S2/c1-9-5(8(11)12)6(10)7-4(2-3-15-7)16(9,13)14/h2-3,10H,1H3,(H,11,12)
    • InChI Key: FYHROHFTOKQHJH-UHFFFAOYSA-N
    • SMILES: S1(C2C=CSC=2C(=C(C(=O)O)N1C)O)(=O)=O

Computed Properties

  • Exact Mass: 260.97656467g/mol
  • Monoisotopic Mass: 260.97656467g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 463
  • 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: 0.6
  • Topological Polar Surface Area: 132?2

2H-Thieno[2,3-e]-1,2-thiazine-3-carboxylicacid, 4-hydroxy-2-methyl-, 1,1-dioxide Security Information

  • HazardClass:IRRITANT
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