Cas no 14961-46-7 (Pyrimidine,2,2'-[1,3-propanediylbis(thio)]bis[4,6-dimethyl-)

Pyrimidine,2,2'-[1,3-propanediylbis(thio)]bis[4,6-dimethyl- structure
14961-46-7 structure
Product Name:Pyrimidine,2,2'-[1,3-propanediylbis(thio)]bis[4,6-dimethyl-
CAS No:14961-46-7
MF:C15H20N4S2
MW:320.476099967957
CID:187907
PubChem ID:203669
Update Time:2025-04-19

Pyrimidine,2,2'-[1,3-propanediylbis(thio)]bis[4,6-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • Pyrimidine,2,2'-[1,3-propanediylbis(thio)]bis[4,6-dimethyl-
    • 2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropylsulfanyl]-4,6-dimethylpyrimidine
    • Pyrimidine, 2,2'-(1,3-propanediylbis(thio))bis(4,6-dimethyl-
    • 14961-46-7
    • 2,2'-(1,3-Propanediylbis(thio))bis(4,6-dimethylpyrimidine)
    • 1,3-Bis(4,6-dimethylpyrimidinyl-2-thio)propane
    • DTXSID00164353
    • BRN 0817940
    • Inchi： 1S/C15H20N4S2/c1-10-8-11(2)17-14(16-10)20-6-5-7-21-15-18-12(3)9-13(4)19-15/h8-9H,5-7H2,1-4H3
    • InChI Key： CJPQTYVDZBGCFN-UHFFFAOYSA-N
    • SMILES： S(C1N=C(C)C=C(C)N=1)CCCSC1N=C(C)C=C(C)N=1

Computed Properties

  • Exact Mass: 320.1132
  • Monoisotopic Mass: 320.113
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 6
  • Complexity: 257
  • 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: 3.8
  • Topological Polar Surface Area: 102?2

Experimental Properties

  • Density: 1.22
  • Boiling Point: 494.7°C at 760 mmHg
  • Flash Point: 253°C
  • Refractive Index: 1.61
  • PSA: 51.56

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