Cas no 315228-79-6 (2-Mercaptobenzo[d]thiazole-6-carbonitrile)

2-Mercaptobenzo[d]thiazole-6-carbonitrile structure
315228-79-6 structure
Product Name:2-Mercaptobenzo[d]thiazole-6-carbonitrile
CAS No:315228-79-6
MF:C8H4N2S2
MW:192.260758399963
MDL:MFCD19441973
CID:67616
PubChem ID:22029197
Update Time:2025-04-18

2-Mercaptobenzo[d]thiazole-6-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Mercaptobenzo[d]thiazole-6-carbonitrile
    • 2-Mercapto-1,3-benzothiazole-6-carbonitrile
    • 2,3-Dihydro-2-thioxo-6-benzothiazolecarbonitrile
    • 2-Mercaptobenzothiazole-6-carbonitrile
    • 2-sulfanylidene-3H-1,3-benzothiazole-6-carbonitrile
    • 2-mercapto-benzothiazole-6-carbonitrile
    • 6-Benzothiazolecarbonitrile,2,3-dihydro-2-thioxo-(9CI)
    • 6-cyano-2-mercaptobenzothiazole
    • ANW-62125
    • CTK8B9162
    • PubChem24304
    • SureCN2032785
    • DS-3843
    • SCHEMBL2032785
    • 6-BENZOTHIAZOLECARBONITRILE,2,3-DIHYDRO-2-THIOXO-
    • AC-27157
    • DTXSID40621773
    • AKOS016004810
    • CS-0005518
    • C74620
    • 2-Sulfanylidene-2,3-dihydro-1,3-benzothiazole-6-carbonitrile
    • C8H4N2S2
    • 6-Benzothiazolecarbonitrile, 2,3-dihydro-2-thioxo-
    • A875875
    • XRIDVJQTZRUCDJ-UHFFFAOYSA-N
    • 2-Mercapto-1,3-benzothiazole-6-carbonitrile; 2,3-Dihydro-2-thioxo-6-benzothiazolecarbonitrile
    • 315228-79-6
    • EN300-5133185
    • MDL: MFCD19441973
    • Inchi: 1S/C8H4N2S2/c9-4-5-1-2-6-7(3-5)12-8(11)10-6/h1-3H,(H,10,11)
    • InChI Key: XRIDVJQTZRUCDJ-UHFFFAOYSA-N
    • SMILES: S1C(NC2C=CC(C#N)=CC1=2)=S

Computed Properties

  • Exact Mass: 191.98172
  • Monoisotopic Mass: 191.982
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 255
  • 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: 2.1
  • Topological Polar Surface Area: 93.2A^2

Experimental Properties

  • Density: 1.54
  • Boiling Point: 369.4°C at 760 mmHg
  • Flash Point: 177.195 °C
  • PSA: 35.82

2-Mercaptobenzo[d]thiazole-6-carbonitrile Security Information

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