Cas no 58249-25-5 (1,2-Benzoisothiazolin-3-one, sodium salt)

1,2-Benzoisothiazolin-3-one, sodium salt structure
58249-25-5 structure
Product Name:1,2-Benzoisothiazolin-3-one, sodium salt
CAS No:58249-25-5
MF:C7H4NNaOS
MW:173.167531013489
CID:384217
PubChem ID:13238744
Update Time:2025-08-03

1,2-Benzoisothiazolin-3-one, sodium salt Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzisothiazol-3(2H)-one,sodium salt (1:1)
    • 1,2-benzisothiazol-3(2H)-one, sodium salt
    • 1,2-BENZISOTHIAZOLIN-3-ONE SODIUM SALT
    • 1,2-Benzisothiazol-3(2H)-one,sodium salt
    • EINECS 261-184-8
    • EN300-7724817
    • 58249-25-5
    • Sodium 3-oxo-3H-benzo[d]isothiazol-2-ide
    • DTXSID601016747
    • 1,2-benzisothiazol-3(2H)-one sodium
    • sodium;1,2-benzothiazol-2-id-3-one
    • sodium 3-oxo-2,3-dihydro-1,2-benzothiazol-2-ide
    • 1,2-Benzoisothiazolin-3-one, sodium salt
    • Inchi: 1S/C7H5NOS.Na/c9-7-5-3-1-2-4-6(5)10-8-7;/h1-4H,(H,8,9);/q;+1/p-1
    • InChI Key: CFMIJCAMTQLSTM-UHFFFAOYSA-M
    • SMILES: S1C2C=CC=CC=2C([N-]1)=O.[Na+]

Computed Properties

  • Exact Mass: 172.99100
  • Monoisotopic Mass: 172.99112921g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 165
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • Density: Not available
  • Melting Point: Not available
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 58.20000
  • LogP: 1.21870
  • Vapor Pressure: Not available

1,2-Benzoisothiazolin-3-one, sodium salt Pricemore >>

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