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CS-W001157 4
Total: USD 88.00

(3-bromophenyl)thiourea

  • CAS No. 21327-14-0

  • Cat. No. CS-0037768
  • Molecule weight231.11
  • Purity≥97%
  • MDL No.None

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

(3-bromophenyl)thiourea|CS-0037768

Structure of 21327-14-0

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General Information

  • CAS No. 21327-14-0
  • Cat. No. CS-0037768
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇BrN₂S
  • Molecular Weight 231.11
  • Synonym(s) 1-(3-Bromophenyl)thiourea
  • SMILES C1=CC(=CC(=C1)NC(=N)S)Br

Synthesis

  • Route1
    • null|null
      1147550-11-5
    • null|null
      591-19-5
    • ~84%
    • (3-bromophenyl)thiourea|CS-0037768
      21327-14-0

    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 144 ;
  • Route2
    • null|null
      2131-59-1
    • ~96%
    • (3-bromophenyl)thiourea|CS-0037768
      21327-14-0

    References

    • Browne, Duncanl.; O'Brien, Matthew; Koos, Peter; Cranwell, Philippa B.; Polyzos, Anastasios; Ley, Steven V. Synlett, 2012 , vol. 23, # 9 p. 1402 - 1406
  • Route3
    • null|null
      591-19-5
    • ~%
    • (3-bromophenyl)thiourea|CS-0037768
      21327-14-0

    References

    • Journal of Medicinal Chemistry, , vol. 49, # 19 p. 5769 - 5776

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   35.88
  • LogP   2.72557
  • H_Acceptors   1
  • H_Donors   3
  • Rotatable_Bonds   1

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