Cas no 105613-79-4 (1H-1,2,4-Triazole, 3-nitro-1-[(2,4,6-tripropylphenyl)sulfonyl]-)

1H-1,2,4-Triazole, 3-nitro-1-[(2,4,6-tripropylphenyl)sulfonyl]- structure
105613-79-4 structure
Product Name:1H-1,2,4-Triazole, 3-nitro-1-[(2,4,6-tripropylphenyl)sulfonyl]-
CAS No:105613-79-4
MF:C17H24N4O4S
MW:380.461862564087
CID:1157428
Update Time:2024-07-26

1H-1,2,4-Triazole, 3-nitro-1-[(2,4,6-tripropylphenyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • 1H-1,2,4-Triazole, 3-nitro-1-[(2,4,6-tripropylphenyl)sulfonyl]-
    • Inchi: 1S/C17H24N4O4S/c1-4-7-13-10-14(8-5-2)16(15(11-13)9-6-3)26(24,25)20-12-18-17(19-20)21(22)23/h10-12H,4-9H2,1-3H3
    • InChI Key: XFJJPOHWVOYVGS-UHFFFAOYSA-N
    • SMILES: N1(S(C2=C(CCC)C=C(CCC)C=C2CCC)(=O)=O)C=NC([N+]([O-])=O)=N1

Computed Properties

  • Exact Mass: 380.15202

Experimental Properties

  • Density: 1.30±0.1 g/cm3(Predicted)
  • Boiling Point: 569.0±60.0 °C(Predicted)
  • PSA: 107.99
  • pka: -5.80±0.50(Predicted)
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