Cas no 260998-77-4 (Thiazole, 2-methyl-,radical ion(1+) (9CI))

Thiazole, 2-methyl-,radical ion(1+) (9CI) structure
260998-77-4 structure
Product Name:Thiazole, 2-methyl-,radical ion(1+) (9CI)
CAS No:260998-77-4
MF:C4H5NS
MW:99.1541993618011
CID:247315
Update Time:2024-01-26

Thiazole, 2-methyl-,radical ion(1+) (9CI) Chemical and Physical Properties

Names and Identifiers

    • Thiazole, 2-methyl-,radical ion(1+) (9CI)
    • Inchi: 1S/C4H5NS/c1-4-5-2-3-6-4/h2-3H,1H3
    • InChI Key: VZWOXDYRBDIHMA-UHFFFAOYSA-N
    • SMILES: S1C=CN=C1C

Computed Properties

  • Exact Mass: 99.014
  • Monoisotopic Mass: 99.014
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 46.8
  • 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
  • Topological Polar Surface Area: 41.1A^2

Experimental Properties

  • Density: 1.121
  • Melting Point: -24 °C
  • Boiling Point: 128.5 °C at 760 mmHg
  • Flash Point: 28.9 °C
  • Refractive Index: 1.535
  • PSA: 41.13000
  • LogP: 1.45150

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