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CS-W001157 4
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N-(3-Chlorophenyl)thiourea

  • CAS No. 4947-89-1

  • Cat. No. CS-0116703
  • Purity≥98%
  • MDL No.None

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

N-(3-Chlorophenyl)thiourea|CS-0116703

Structure of 4947-89-1

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General Information

  • CAS No. 4947-89-1
  • Cat. No. CS-0116703
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇ClN₂S
  • Molecular Weight 186.66
  • Synonym(s) Urea, 1-(m-chlorophenyl)-2-thio-
  • SMILES S=C(N)NC1=CC=CC(Cl)=C1

Synthesis

  • Route1

    References

    • GLAXOSMITHKLINE LLC; CHEUNG, Mui; TANGIRALA, Raghuram, S. Patent: WO2014/74761 A2, 2014 ; Location in patent: Page/Page column 58 ;
  • Route2
    • null|null
      1147550-11-5
    • null|null
      108-42-9
    • ~%
    • N-(3-Chlorophenyl)thiourea|CS-0116703
      4947-89-1

    References

    • THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY; AUCKLAND UNISERVICES LIMITED Patent: WO2009/114552 A1, 2009 ; Location in patent: Page/Page column 86-87 ;
  • Route3
    • null|null
      21258-04-8
    • ~90%
    • N-(3-Chlorophenyl)thiourea|CS-0116703
      4947-89-1

    References

    • Rasmussen, C. R.; Villani, F. J.; Weaner, L. E.; Reynolds, B. E.; Hood, A. R.; et al. Synthesis, 1988 , # 6 p. 456 - 459

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H300
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   38.05
  • LogP   1.9955
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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