Cas no 1188091-86-2 (5-Methylbenzo[d]thiazole-2-carbonitrile)

5-Methylbenzo[d]thiazole-2-carbonitrile structure
1188091-86-2 structure
Product Name:5-Methylbenzo[d]thiazole-2-carbonitrile
CAS No:1188091-86-2
MF:C9H6N2S
MW:174.222340106964
CID:849982
Update Time:2023-08-03

5-Methylbenzo[d]thiazole-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Benzothiazolecarbonitrile, 5-methyl-
    • 5-methylbenzo[d]thiazole-2-carbonitrile
    • 5-methyl-1,3-benzothiazole-2-carbonitrile
    • 5-Methylbenzo[d]thiazole-2-carbonitrile
    • Inchi: 1S/C9H6N2S/c1-6-2-3-8-7(4-6)11-9(5-10)12-8/h2-4H,1H3
    • InChI Key: BZWGKZHFQGGHNJ-UHFFFAOYSA-N
    • SMILES: S1C(C#N)=NC2C=C(C)C=CC1=2

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 220
  • Topological Polar Surface Area: 64.9
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