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CS-W001157 4
Total: USD 88.00

1-(P-tolylthio)propan-2-one

  • CAS No. 1200-13-1

  • Cat. No. CS-0281436
  • Purity≥97%
  • MDL No.None

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

1-(P-tolylthio)propan-2-one|CS-0281436

Structure of 1200-13-1

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General Information

  • CAS No. 1200-13-1
  • Cat. No. CS-0281436
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂OS
  • Molecular Weight 180.27
  • Synonym(s) p-(Tolylthio)Acetone
  • SMILES CC1=CC=C(C=C1)SCC(=O)C

Synthesis

  • Route1
    • null|null
      78-95-5
    • null|null
      106-45-6
    • ~78%
    • 1-(P-tolylthio)propan-2-one|CS-0281436
      1200-13-1

    References

    • KANCERA AB; BYSTROeM, Styrbjoern; HEDGECOCK, Charles; HOMAN, Evert; LUNDBAeCK, Thomas; MARTINSSON, Jessica; SARI, Meral; FAeRNEGAaRDH, Katarina; JOeNSSON, Mattias Patent: WO2012/35171 A2, 2012 ; Location in patent: Page/Page column 51 ; WO 2012/035171 A2
  • Route2
    • null|null
      56742-98-4
    • ~80%
    • 1-(P-tolylthio)propan-2-one|CS-0281436
      1200-13-1

    References

    • Shimizu; Shibuya; Hayakawa Synlett, 2000 , # 10 p. 1437 - 1438
  • Route3

    References

    • Zou, Liang-Hua; Priebbenow, Daniel L.; Wang, Long; Mottweiler, Jakob; Bolm, Carsten Advanced Synthesis and Catalysis, 2013 , vol. 355, # 13 p. 2558 - 2563

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.67612
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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