Cas no 2217-06-3 (Benzene,1,1'-thiobis[2,4,6-trinitro-)

Benzene,1,1'-thiobis[2,4,6-trinitro- structure
2217-06-3 structure
Product Name:Benzene,1,1'-thiobis[2,4,6-trinitro-
CAS No:2217-06-3
MF:C12H4N6O12S
MW:456.258160591125
CID:274324
PubChem ID:316175
Update Time:2025-04-19

Benzene,1,1'-thiobis[2,4,6-trinitro- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1,1'-thiobis[2,4,6-trinitro-
    • Bis(2,4,6-trinitrophenyl)sulfide;Picryl sulfide;2,4,6-Trinitrophenyl sulfide;2,4,6,2',4',6'-Hexanitrodiphenyl sulfide;Dipicryl sulfide;Dipicryl sulphide;UN 0401;NSC 243670;bis(2,4,6-trinitrophenyl) sulphide
    • 1,1'-Thiobis[2,4,6-trinitrobenzene]
    • UN 2852 (Salt/Mix)
    • NS00050210
    • Benzene,1'-thiobis[2,4,6-trinitro-
    • UN0401
    • Dipicryl sulfide, wetted with not <10% water, by mass
    • Benzene, 1,1'-thiobis[2,4,6-trinitro-
    • EINECS 218-704-3
    • 2,4,6,2',4',6'-Hexanitrodiphenyl sulfide
    • UNII-XL78QN6UV5
    • UN 0401
    • Bis(2,4,6-trinitrophenyl)sulfide
    • Dipikrylsulfid
    • 2,2',4,4',6,6'-Hexanitrodiphenyl sulfide
    • Benzene, 1,1'-thiobis(2,4,6-trinitro-
    • Dipicryl sulfide, dry or wetted with <10% water, by mass
    • Bis(2,4,6-trinitrophenyl) sulphide
    • Dipicryl sulfide, wetted with not <10% water, by mass [UN2852] [Flammable solid]
    • Dipicryl sulfide, dry or wetted with <10% water, by mass [UN0401] [Explosive 1.1D]
    • 2,4,6-Trinitrophenyl sulfide
    • 1,3,5-trinitro-2-(2,4,6-trinitrophenyl)sulfanylbenzene
    • 2217-06-3
    • XHJPTLWIOZRBQB-UHFFFAOYSA-N
    • Dipicryl sulphide
    • SCHEMBL3307495
    • UN2852
    • 1,3,5-Trinitro-2-[(2,4,6-trinitrophenyl)sulfanyl]benzene #
    • 2,6-Trinitrophenyl sulfide
    • NSC243670
    • DTXSID60883811
    • NSC 243670
    • 2,6,2',4',6'-Hexanitrodiphenyl sulfide
    • Dipicryl sulfide
    • NSC-243670
    • Picryl sulfide
    • XL78QN6UV5
    • Bis(2,6-trinitrophenyl)sulfide
    • Inchi： 1S/C12H4N6O12S/c19-13(20)5-1-7(15(23)24)11(8(2-5)16(25)26)31-12-9(17(27)28)3-6(14(21)22)4-10(12)18(29)30/h1-4H
    • InChI Key： XHJPTLWIOZRBQB-UHFFFAOYSA-N
    • SMILES： S(C1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 455.96082
  • Monoisotopic Mass: 455.961
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 2
  • Complexity: 666
  • 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
  • Topological Polar Surface Area: 300?2

Experimental Properties

  • Density: 1.8964 (rough estimate)
  • Boiling Point: 531.3°Cat760mmHg
  • Flash Point: 275.1°C
  • Refractive Index: 1.7000 (estimate)
  • PSA: 258.84
  • LogP: 6.42620

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