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CS-W001157 4
Total: USD 88.00

4-(1h-1,3-Benzodiazol-2-ylsulfanyl)aniline

  • CAS No. 956-13-8

  • Cat. No. CS-0221250
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

4-(1h-1,3-Benzodiazol-2-ylsulfanyl)aniline|CS-0221250

Structure of 956-13-8

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General Information

  • CAS No. 956-13-8
  • Cat. No. CS-0221250
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁N₃S
  • Molecular Weight 241.31
  • Synonym(s) 4-(1H-benzimidazol-2-ylthio)aniline
  • SMILES NC1=CC=C(SC2=NC3=CC=CC=C3N2)C=C1

Synthesis

  • Route1
    • null|null
      39544-81-5
    • ~77%
    • In-stock
      4-(1h-1,3-Benzodiazol-2-ylsulfanyl)aniline|CS-0221250
      956-13-8

    References

    • Rao; Charles; Sharma; et al. European Journal of Medicinal Chemistry, 1981 , vol. 16, # 1 p. 35 - 38
  • Route2
    • null|null
      100-00-5
    • ~%
    • In-stock
      4-(1h-1,3-Benzodiazol-2-ylsulfanyl)aniline|CS-0221250
      956-13-8

    References

    • Rao; Charles; Sharma; et al. European Journal of Medicinal Chemistry, 1981 , vol. 16, # 1 p. 35 - 38
  • Route3
    • null|null
      134469-07-1
    • ~%
    • In-stock
      4-(1h-1,3-Benzodiazol-2-ylsulfanyl)aniline|CS-0221250
      956-13-8

    References

    • Rao; Charles; Sharma; et al. European Journal of Medicinal Chemistry, 1981 , vol. 16, # 1 p. 35 - 38

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   54.7
  • LogP   3.2963
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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