Cas no 762272-01-5 (5-Thiazolemethanamine,2-amino-a,a-dimethyl-)

5-Thiazolemethanamine,2-amino-a,a-dimethyl- structure
762272-01-5 structure
Product Name:5-Thiazolemethanamine,2-amino-a,a-dimethyl-
CAS No:762272-01-5
MF:C6H11N3S
MW:157.236639261246
CID:550207
Update Time:2024-01-30

5-Thiazolemethanamine,2-amino-a,a-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 5-Thiazolemethanamine,2-amino-a,a-dimethyl-
    • 5-Thiazolemethanamine, 2-amino--alpha-,-alpha--dimethyl-
    • 5-Thiazolemethanamine, 2-amino-α,α-dimethyl-
    • Inchi: 1S/C6H11N3S/c1-6(2,8)4-3-9-5(7)10-4/h3H,8H2,1-2H3,(H2,7,9)
    • InChI Key: WDVVLIUWDUDQCR-UHFFFAOYSA-N
    • SMILES: S1C(C(C)(C)N)=CN=C1N

Computed Properties

  • Exact Mass: 157.067
  • Monoisotopic Mass: 157.067
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 521
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.3
  • Topological Polar Surface Area: 93.2A^2

Experimental Properties

  • Density: 1.225±0.06 g/cm3(Predicted)
  • Boiling Point: 300.2±17.0 °C(Predicted)
  • pka: 8.63±0.25(Predicted)
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