Cas no 27282-88-8 (1,3,5-Triazine, 2,4-bis(methylthio)-)

1,3,5-Triazine, 2,4-bis(methylthio)- structure
27282-88-8 structure
Product Name:1,3,5-Triazine, 2,4-bis(methylthio)-
CAS No:27282-88-8
MF:C5H7N3S2
MW:173.259177446365
CID:1429216
PubChem ID:20802008
Update Time:2025-04-20

1,3,5-Triazine, 2,4-bis(methylthio)- Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Triazine, 2,4-bis(methylthio)-
    • 27282-88-8
    • 2,4-bis(methylthio)-1,3,5-triazine
    • DTXSID501297893
    • SCHEMBL6511999
    • Inchi: 1S/C5H7N3S2/c1-9-4-6-3-7-5(8-4)10-2/h3H,1-2H3
    • InChI Key: VCPARPLFOANZTI-UHFFFAOYSA-N
    • SMILES: S(C)C1N=CN=C(N=1)SC

Computed Properties

  • Exact Mass: 173.00831
  • Monoisotopic Mass: 173.00813958g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 90.9
  • 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: 1.7
  • Topological Polar Surface Area: 89.3?2

Experimental Properties

  • PSA: 38.67
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