Cas no 1215959-36-6 (2,4-dimethyl-1,3-thiazole-5-carbonitrile)

2,4-dimethyl-1,3-thiazole-5-carbonitrile structure
1215959-36-6 structure
Product Name:2,4-dimethyl-1,3-thiazole-5-carbonitrile
CAS No:1215959-36-6
MF:C6H6N2S
MW:138.190239429474
CID:5177258
Update Time:2023-08-26

2,4-dimethyl-1,3-thiazole-5-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2,4-Dimethylthiazole-5-carbonitrile
    • 2,4-dimethyl-1,3-thiazole-5-carbonitrile
    • Inchi: 1S/C6H6N2S/c1-4-6(3-7)9-5(2)8-4/h1-2H3
    • InChI Key: NYSZIQSZFWCBAH-UHFFFAOYSA-N
    • SMILES: S1C(C#N)=C(C)N=C1C

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 148
  • XLogP3: 1.8
  • Topological Polar Surface Area: 64.9

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