Cas no 105652-40-2 (1H-Benzimidazole, 1-[(4-dodecylphenyl)sulfonyl]-)

1H-Benzimidazole, 1-[(4-dodecylphenyl)sulfonyl]- structure
105652-40-2 structure
Product Name:1H-Benzimidazole, 1-[(4-dodecylphenyl)sulfonyl]-
CAS No:105652-40-2
MF:C25H34N2O2S
MW:426.61466550827
CID:1158634
Update Time:2024-07-26

1H-Benzimidazole, 1-[(4-dodecylphenyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazole, 1-[(4-dodecylphenyl)sulfonyl]-
    • Inchi: 1S/C25H34N2O2S/c1-2-3-4-5-6-7-8-9-10-11-14-22-17-19-23(20-18-22)30(28,29)27-21-26-24-15-12-13-16-25(24)27/h12-13,15-21H,2-11,14H2,1H3
    • InChI Key: MQVRNMUJOIAZHV-UHFFFAOYSA-N
    • SMILES: C1N(S(C2=CC=C(CCCCCCCCCCCC)C=C2)(=O)=O)C2=CC=CC=C2N=1

Computed Properties

  • Exact Mass: 426.23432

Experimental Properties

  • Density: 1.11±0.1 g/cm3(Predicted)
  • Boiling Point: 575.0±43.0 °C(Predicted)
  • PSA: 51.96
  • pka: 0.57±0.10(Predicted)
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