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CS-W001157 4
Total: USD 88.00

Methyl 3-(methylthio)benzoate

  • CAS No. 90721-40-7

  • Cat. No. CS-0578672
  • Purity≥98%
  • MDL No.None

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

Methyl 3-(methylthio)benzoate|CS-0578672

Structure of 90721-40-7

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General Information

  • CAS No. 90721-40-7
  • Cat. No. CS-0578672
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₂S
  • Molecular Weight 182.24
  • Synonym(s) Benzoic acid, 3-(methylthio)-, methyl ester
  • SMILES COC(=O)C1=CC(=CC=C1)SC

Synthesis

  • Route1
    • null|null
      4869-59-4
    • null|null
      74-88-4
    • ~99%
    • Methyl 3-(methylthio)benzoate|CS-0578672
      90721-40-7

    References

    • Lee, Jeewoo; Kang, Sang-Uk; Kil, Min-Jung; Shin, Myoungyoup; Lim, Ju-Ok; Choi, Hyun-Kyung; Jin, Mi-Kyoung; Kim, Su Yeon; Kim, Sung-Eun; Lee, Yong-Sil; Min, Kyung-Hoon; Kim, Young-Ho; Ha, Hee-Jin; Tran, Richard; Welter, Jacqueline D.; Wang, Yun; Szabo, Tamas; Pearce, Larry V.; Lundberg, Daniel J.; Toth, Attila; Pavlyukovets, Vladimir A.; Morgan, Matthew A.; Blumberg, Peter M. Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 18 p. 4136 - 4142
  • Route2

    References

    • Brand; Gabel; Rosenkranz Chemische Berichte, 1937 , vol. 70, p. 296,307
  • Route3

    References

    • Budesinsky, Milos; Exner, Otto Magnetic Resonance in Chemistry, 1989 , vol. 27, # 6 p. 585 - 591

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.1951
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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