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CS-W001157 4
Total: USD 88.00

Thiohexam

  • CAS No. 95-33-0

  • Cat. No. CS-0040170
  • Molecule weightNone
  • Purity≥98%
  • MDL No.MFCD00022872

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

Thiohexam|CS-0040170

Structure of 95-33-0

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General Information

  • CAS No. 95-33-0
  • Cat. No. CS-0040170
  • Purity ≥98%
  • MDL No. MFCD00022872
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆N₂S₂
  • Molecular Weight None
  • Synonym(s) N-Cyclohexyl-2-benzothiazolesulfenamide
  • SMILES C1(SNC2CCCCC2)=NC3=CC=CC=C3S1

Description

Thiohexam features a robust thiazole ring fused to a hexamethylene backbone, delivering enhanced thermal stability and selective reactivity in nucleophilic substitution cascades. This scaffold integrates seamlessly into complex heterocyclic architectures, enabling efficient access to bioactive scaffolds under standard conditions.

Synthesis

  • Route1
    • null|null
      108-91-8
    • In-stock
      Sodium 2-thioxobenzo[d]thiazol-3-ide,50% in water|CS-0109853
      2492-26-4
    • ~96%
    • In-stock
      Thiohexam|CS-0040170
      95-33-0

    References

    • Bayer Aktiengesellschaft Patent: EP1449837 A1, 2004 ; Location in patent: Page column 4-5 ;
  • Route2
    • null|null
      120-78-5
    • null|null
      108-91-8
    • ~99%
    • In-stock
      Thiohexam|CS-0040170
      95-33-0

    References

    • Bayer Aktiengesellschaft Patent: US4751301 A1, 1988 ;
  • Route3
    • null|null
      111-76-2
    • null|null
      108-91-8
    • ~85%
    • In-stock
      Thiohexam|CS-0040170
      95-33-0

    References

    • Pennwalt Corporation Patent: US4258197 A1, 1981 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS08,GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H317-H373-H410
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   24.92
  • LogP   4.2257
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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