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CS-W001157 4
Total: USD 88.00

4-(3-Allylthioureido)benzoic acid

  • CAS No. 1142-29-6

  • Cat. No. CS-B0253
  • Molecule weight236.29
  • Purity≥95%
  • MDL No.None

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

4-(3-Allylthioureido)benzoic acid|CS-B0253

Structure of 1142-29-6

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General Information

  • CAS No. 1142-29-6
  • Cat. No. CS-B0253
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂N₂O₂S
  • Molecular Weight 236.29
  • Synonym(s) N-Allyl-N'-p-carboxyphenyl-thioharnstoff
  • SMILES S=C(NCC=C)NC1=CC=C(C=C1)C(O)=O

Synthesis

  • Route1
    • null|null
      2131-62-6
    • null|null
      107-11-9
    • ~%
    • 4-(3-Allylthioureido)benzoic acid|CS-B0253
      1142-29-6

    References

    • Luo, Rusong; Laitinen, Tuomo; Teng, Liyan; Nevalainen, Tapio; Lahtela-Kakkonen, Maija; Zheng, Baofu; Wang, Honghai; Poso, Antti; Zhang, Xuelian Letters in Drug Design and Discovery, 2013 , vol. 10, # 7 p. 640 - 650
  • Route2
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • ~%
    • 4-(3-Allylthioureido)benzoic acid|CS-B0253
      1142-29-6

    References

    • Luo, Rusong; Laitinen, Tuomo; Teng, Liyan; Nevalainen, Tapio; Lahtela-Kakkonen, Maija; Zheng, Baofu; Wang, Honghai; Poso, Antti; Zhang, Xuelian Letters in Drug Design and Discovery, 2013 , vol. 10, # 7 p. 640 - 650

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-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   61.36
  • LogP   1.8572
  • H_Acceptors   2
  • H_Donors   3
  • Rotatable_Bonds   4

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