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CS-W001157 4
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5-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2(3H)-thione

  • CAS No. 91129-85-0

  • Cat. No. CS-0234868
  • Molecule weight237.34
  • Purity≥97%
  • MDL No.None

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

5-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2(3H)-thione|CS-0234868

Structure of 91129-85-0

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General Information

  • CAS No. 91129-85-0
  • Cat. No. CS-0234868
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁N₃S₂
  • Molecular Weight 237.34
  • Synonym(s) 5-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2-thiol
  • SMILES S=C1SC(NN1)=NCCC2=CC=CC=C2

Synthesis

  • Route1
    • null|null
      75-15-0
    • 3-Amino-1-(2-phenylethyl)thiourea|CS-0219357
      21198-23-2
    • ~66%
    • 5-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2(3H)-thione|CS-0234868
      91129-85-0

    References

    • Sangal; Kumar Journal of the Indian Chemical Society, 1988 , vol. 65, # 11 p. 811 - 812

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   43.94
  • LogP   2.27719
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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