Cas no 2801-21-0 (2-Benzothiazolesulfenamide)

2-Benzothiazolesulfenamide structure
2-Benzothiazolesulfenamide structure
Product Name:2-Benzothiazolesulfenamide
CAS No:2801-21-0
MF:C7H6N2S2
MW:182.265938282013
CID:272966
PubChem ID:98648
Update Time:2025-04-19

2-Benzothiazolesulfenamide Chemical and Physical Properties

Names and Identifiers

    • 2-Benzothiazolesulfenamide
    • S-(1,3-benzothiazol-2-yl)thiohydroxylamine
    • 2-(Aminosulfanyl)-1,3-benzothiazole
    • 2-Sulfenamidobenzothiazole
    • benzothiazole sulphenamide
    • GPNLWUFFWOYKLP-UHFFFAOYSA-N
    • AKOS006274472
    • BRN 0128298
    • (1,3-BENZOTHIAZOL-2-YLSULFANYL)AMINE
    • 2-Benzothiazole sulfenamide
    • NSC157088
    • NSC 157088
    • DTXSID80182292
    • NSC-157088
    • EN300-399413
    • 2-Benzothiazolylsulfenamide
    • SCHEMBL81568
    • 2801-21-0
    • 2-Benzothiazylsulfenamide
    • CAA80121
    • CHEMBL3092382
    • 2-(aminothio)-1,3-benzothiazole
    • Inchi: 1S/C7H6N2S2/c8-11-7-9-5-3-1-2-4-6(5)10-7/h1-4H,8H2
    • InChI Key: GPNLWUFFWOYKLP-UHFFFAOYSA-N
    • SMILES: S1C(=NC2C=CC=CC1=2)SN

Computed Properties

  • Exact Mass: 181.99738
  • Monoisotopic Mass: 181.997
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 142
  • 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: 1.9
  • Topological Polar Surface Area: 92.4?2

Experimental Properties

  • Density: 1.45
  • Boiling Point: 359°C at 760 mmHg
  • Flash Point: 170.9°C
  • Refractive Index: 1.77
  • PSA: 38.91
  • LogP: 2.96240

2-Benzothiazolesulfenamide Pricemore >>

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