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Cat. No. Size / Unit Price Qty
CS-W001157 4
Total: USD 88.00

1-(3-Fluorophenyl)-2-thiourea

  • CAS No. 458-05-9

  • Cat. No. CS-0212179
  • Purity≥96%
  • MDL No.MFCD00041167

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

1-(3-Fluorophenyl)-2-thiourea|CS-0212179

Structure of 458-05-9

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General Information

  • CAS No. 458-05-9
  • Cat. No. CS-0212179
  • Purity ≥96%
  • MDL No. MFCD00041167
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇FN₂S
  • Molecular Weight 170.21
  • Synonym(s) 1-(3-Fluorophenyl)Thiourea
  • SMILES NC(NC1=CC=CC(F)=C1)=S

Synthesis

  • Route1
    • null|null
      372-19-0
    • null|null
      1147550-11-5
    • ~88%
    • 1-(3-Fluorophenyl)-2-thiourea|CS-0212179
      458-05-9

    References

    • Wang, Min; Gao, Mingzhang; Mock, Bruce H.; Miller, Kathy D.; Sledge, George W.; Hutchins, Gary D.; Zheng, Qi-Huang Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 24 p. 8599 - 8607
  • Route2
    • null|null
      372-19-0
    • ~%
    • 1-(3-Fluorophenyl)-2-thiourea|CS-0212179
      458-05-9

    References

    • Bayer Aktiengesellschaft Patent: US5356864 A1, 1994 ;
  • Route3
    • N-((3-fluorophenyl)carbamothioyl)benzamide|CS-0523565
      82635-62-9
    • ~61%
    • 1-(3-Fluorophenyl)-2-thiourea|CS-0212179
      458-05-9

    References

    • Gupta, K. A.; Saxena, Anil K.; Jain, Padam C. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1982 , vol. 21, # 3 p. 228 - 233

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   38.05
  • LogP   1.4812
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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