Cas no 13113-79-6 (Benzenethiol, 4-nitro-,sodium salt (1:1))

Benzenethiol, 4-nitro-,sodium salt (1:1) structure
13113-79-6 structure
Product Name:Benzenethiol, 4-nitro-,sodium salt (1:1)
CAS No:13113-79-6
MF:C6H5NNaO2S
MW:178.164170980453
CID:221682
PubChem ID:23718988
Update Time:2025-04-19

Benzenethiol, 4-nitro-,sodium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • Benzenethiol, 4-nitro-,sodium salt (1:1)
    • sodium,4-nitrobenzenethiol
    • 4-Nitrobenzenethiol sodium salt
    • 4-Nitrothiophenol sodium salt
    • Benzenethiol, p-nitro-, sodium deriv. (6CI)
    • Benzenethiol, p-nitro-, sodium salt (8CI)
    • Benzenethiol,4-nitro-, sodium salt (9CI)
    • Sodium 4-nitrophenyl sulfide
    • Sodium 4-nitrothiophenoxide
    • Sodium p-nitrobenzenethiolate
    • Sodium p-nitrophenylmercaptide
    • Sodium p-nitrothiop
    • Sodium, [(p-nitrophenyl)thio]-(7CI)
    • Sodium4-nitrobenzenethiolate
    • Sodium4-nitrothiophenolate
    • NSC-63891
    • NSC63891
    • 13113-79-6
    • SCHEMBL9804074
    • Inchi: 1S/C6H5NO2S.Na/c8-7(9)5-1-3-6(10)4-2-5;/h1-4,10H;/q;+1
    • InChI Key: SKXSSXKAWAWWHE-UHFFFAOYSA-N
    • SMILES: SC1C=CC(=CC=1)[N+](=O)[O-].[Na+]

Computed Properties

  • Exact Mass: 177.99386886g/mol
  • Monoisotopic Mass: 177.99386886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 137
  • 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: 46.8?2
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