Cas no 771571-91-6 (5-Pyrimidinemethanamine,4,6-dichloro-2-(methylthio)-)

5-Pyrimidinemethanamine,4,6-dichloro-2-(methylthio)- structure
771571-91-6 structure
Product Name:5-Pyrimidinemethanamine,4,6-dichloro-2-(methylthio)-
CAS No:771571-91-6
MF:C6H7Cl2N3S
MW:224.110877275467
CID:551646
PubChem ID:53471792
Update Time:2025-04-19

5-Pyrimidinemethanamine,4,6-dichloro-2-(methylthio)- Chemical and Physical Properties

Names and Identifiers

    • 5-Pyrimidinemethanamine,4,6-dichloro-2-(methylthio)-
    • (4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDIN-5-YL)
    • (4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDIN-5-YL)METHANAMINE
    • (4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)methanamine
    • [4,6-DICHLORO-2-(METHYLSULFANYL)PYRIMIDIN-5-YL]METHANAMINE
    • 5-Pyrimidinemethanamine,4,6-dichloro-2-(methylthio)
    • RARECHEM AL BW 1807
    • DTXSID90703755
    • MB03732
    • 1-[4,6-Dichloro-2-(methylsulfanyl)pyrimidin-5-yl]methanamine
    • 771571-91-6
    • Inchi: 1S/C6H7Cl2N3S/c1-12-6-10-4(7)3(2-9)5(8)11-6/h2,9H2,1H3
    • InChI Key: ZYBSOUNRTOITPG-UHFFFAOYSA-N
    • SMILES: ClC1C(=C(N=C(N=1)SC)Cl)CN

Computed Properties

  • Exact Mass: 222.97400
  • Monoisotopic Mass: 222.974
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 137
  • 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: 77.1A^2
  • XLogP3: 1.8

Experimental Properties

  • PSA: 77.10000
  • LogP: 2.66430
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