Cas no 2602-85-9 (1,3-Benzothiazole-2-carbonitrile)

1,3-Benzothiazole-2-carbonitrile structure
2602-85-9 structure
Product Name:1,3-Benzothiazole-2-carbonitrile
CAS No:2602-85-9
MF:C8H4N2S
MW:160.195759773254
MDL:MFCD08848199
CID:239785
PubChem ID:638560
Update Time:2025-07-30

1,3-Benzothiazole-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • Benzo[d]thiazole-2-carbonitrile
    • 2-Cyanobenzothiazole
    • 1,3-BENZOTHIAZOLE-2-CARBONITRILE
    • 2-Benzothiazolecarbonitrile
    • 2-Benzothiazolecarbonitrile(7CI,8CI,9CI)
    • benzothiazole-2-carbonitrile
    • benzothiazolecarbonitrile
    • CYANOBENZOTHIAZOLE
    • 2-Cyano-benzo[d]thiazole
    • 1,3-benzothiazol-2-yl cyanide
    • UYHQUNLVWOAJQW-UHFFFAOYSA-N
    • STK505490
    • SBB014679
    • 2209AB
    • FCH863465
    • OR45147
    • AK112486
    • ST087653
    • InChI=1/C8H4N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4
    • EN300-219634
    • 1, 3-benzothiazole-2-carbonitrile
    • BB 0253816
    • DS-5660
    • DTXSID60348576
    • A924896
    • MFCD08848199
    • 2602-85-9
    • SCHEMBL492446
    • AKOS005171776
    • CHEMBL4855535
    • ALBB-008674
    • DTXCID90299648
    • DB-000543
    • 1,3-Benzothiazole-2-carbonitrile
    • MDL: MFCD08848199
    • Inchi: 1S/C8H4N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H
    • InChI Key: UYHQUNLVWOAJQW-UHFFFAOYSA-N
    • SMILES: S1C(C#N)=NC2C=CC=CC1=2

Computed Properties

  • Exact Mass: 160.00962
  • Monoisotopic Mass: 160.00951931g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 196
  • 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: 2.3
  • Topological Polar Surface Area: 64.9

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 293.2±23.0°C at 760 mmHg
  • Flash Point: 131.1±22.6 °C
  • PSA: 36.68
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

1,3-Benzothiazole-2-carbonitrile Security Information

1,3-Benzothiazole-2-carbonitrile Pricemore >>

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