Cas no 78797-02-1 ([2,2'-Bipyridine]-6-carbothioamide)

[2,2'-Bipyridine]-6-carbothioamide structure
78797-02-1 structure
Product Name:[2,2'-Bipyridine]-6-carbothioamide
CAS No:78797-02-1
MF:C11H9N3S
MW:215.274260282516
CID:577969
PubChem ID:3034633
Update Time:2025-04-19

[2,2'-Bipyridine]-6-carbothioamide Chemical and Physical Properties

Names and Identifiers

    • [2,2'-Bipyridine]-6-carbothioamide
    • 2,2'-bipyridyl-6-carbothioamide
    • 6-pyridin-2-ylpyridine-2-carbothioamide
    • (2,2'-Bipyridine)-6-carbothioamide
    • 2,2'-bipyridine-6-carbothioamide
    • 2,2'-bipyridine-6-thioamide
    • AC1MHXXA
    • AC1Q4ZZF
    • AG-H-16037
    • Bpyta
    • NSC308938
    • NSC 308938
    • HQ16M0GM8A
    • SCHEMBL5997996
    • UNII-HQ16M0GM8A
    • CHEMBL17755
    • DTXSID10229306
    • NSC-308938
    • 6-(2-pyridyl)pyridine-2-carbothioamide
    • 78797-02-1
    • Inchi： 1S/C11H9N3S/c12-11(15)10-6-3-5-9(14-10)8-4-1-2-7-13-8/h1-7H,(H2,12,15)
    • InChI Key： KZSRBEDGZFDJKC-UHFFFAOYSA-N
    • SMILES： S=C(C1=CC=CC(C2C=CC=CN=2)=N1)N

Computed Properties

  • Exact Mass: 215.05187
  • Monoisotopic Mass: 215.052
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 232
  • 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: 1.3
  • Topological Polar Surface Area: 83.9?2

Experimental Properties

  • Density: 1.283
  • Boiling Point: 423.3°C at 760 mmHg
  • Flash Point: 209.8°C
  • Refractive Index: 1.677
  • PSA: 51.8
  • LogP: 2.47810

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