Cas no 53552-20-8 (5-amino-3-methyl-8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1,3,5,7,8-pentaen-2-ol)

5-amino-3-methyl-8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1,3,5,7,8-pentaen-2-ol structure
53552-20-8 structure
Product Name:5-amino-3-methyl-8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1,3,5,7,8-pentaen-2-ol
CAS No:53552-20-8
MF:C7H7N3OS
MW:181.214979410172
CID:1583356
PubChem ID:3041164
Update Time:2025-04-21

5-amino-3-methyl-8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1,3,5,7,8-pentaen-2-ol Chemical and Physical Properties

Names and Identifiers

    • 2-amino-4-methyl-8λ<sup>4</sup>-thia-7,9-diazabicyclo[4.3.0]nona-1,3,5,7,8-pentaen-5-ol
    • 7-Amino-5-methyl-2,1,3-benzothia(S IV)diazol-4-ol
    • 7-amino-5-methyl-2,1,3-benzothiadiazol-4-ol
    • SCHEMBL6722512
    • 2,1,3-Benzothia(S IV)diazol-4-ol, 7-amino-5-methyl-
    • DTXSID60968314
    • 53552-20-8
    • 5-amino-3-methyl-8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1,3,5,7,8-pentaen-2-ol
    • Inchi： 1S/C7H7N3OS/c1-3-2-4(8)5-6(7(3)11)10-12-9-5/h2,11H,8H2,1H3
    • InChI Key： MGFRQYBTMKMPNI-UHFFFAOYSA-N
    • SMILES： S1N=C2C(=CC(C)=C(C2=N1)O)N

Computed Properties

  • Exact Mass: 181.03111
  • Monoisotopic Mass: 181.03098303g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 180
  • 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: 1.1
  • Topological Polar Surface Area: 100?2

Experimental Properties

  • PSA: 70.97

5-amino-3-methyl-8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1,3,5,7,8-pentaen-2-ol Related Literature

53552-20-8 (5-amino-3-methyl-8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1,3,5,7,8-pentaen-2-ol) Related Products

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