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N-Carbamothioylbenzamide

  • CAS No. 614-23-3

  • Cat. No. CS-0128865
  • Molecule weight180.23
  • Purity≥97%
  • MDL No.MFCD00041191

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

N-Carbamothioylbenzamide|CS-0128865

Structure of 614-23-3

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General Information

  • CAS No. 614-23-3
  • Cat. No. CS-0128865
  • Purity ≥97%
  • MDL No. MFCD00041191
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂OS
  • Molecular Weight 180.23
  • Synonym(s) Benzoylthiourea
  • SMILES O=C(NC(N)=S)C1=CC=CC=C1

Description

6-Azido-hexanoic acid is a linker containing an azide group and a terminal carboxylic acid. The azide group can react with alkyne, BCN, DBCO via Click Chemistry to yield a stable triazole linkage. The terminal carboxylic acid can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form stable amide bonds.

Synthesis

  • Route1

    References

    • Kavalek, Jaromir; Novak, Jaroslav; Sterba, Vojeslav Collection of Czechoslovak Chemical Communications, 1982 , vol. 47, # 10 p. 2702 - 2710
  • Route2
    • null|null
      1147550-11-5
    • null|null
      98-88-4
    • ~83%
    • In-stock
      N-Carbamothioylbenzamide|CS-0128865
      614-23-3

    References

    • Zhao, Meng-Meng; Dong, Xiu-Yan; Li, Gang; Yang, Yu-Hua; Zhang, Yu-Jie; Yang, Xiao-Qin Asian Journal of Chemistry, 2013 , vol. 25, # 13 p. 7548 - 7550
  • Route3
    • null|null
      98-88-4
    • ~%
    • In-stock
      N-Carbamothioylbenzamide|CS-0128865
      614-23-3

    References

    • Journal of the Chemical Society, , vol. 91, p. 138

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   55.12
  • LogP   0.66
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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