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CS-W001157 4
Total: USD 88.00

1-(Phenylthio)propan-2-one

  • CAS No. 5042-53-5

  • Cat. No. CS-0453137
  • Molecule weight166.24
  • Purity≥98%
  • MDL No.MFCD00014992

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

1-(Phenylthio)propan-2-one|CS-0453137

Structure of 5042-53-5

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General Information

  • CAS No. 5042-53-5
  • Cat. No. CS-0453137
  • Purity ≥98%
  • MDL No. MFCD00014992
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀OS
  • Molecular Weight 166.24
  • Synonym(s) (Phenylthio)propanone
  • SMILES CC(=O)CSC1=CC=CC=C1

Synthesis

  • Route1
    • null|null
      108-98-5
    • null|null
      78-95-5
    • ~96%
    • 1-(Phenylthio)propan-2-one|CS-0453137
      5042-53-5

    References

    • Raghavan, Sadagopan; Samanta, Pradip Kumar Organic Letters, 2012 , vol. 14, # 9 p. 2346 - 2349
  • Route2
    • null|null
      108-98-5
    • null|null
      598-31-2
    • ~96%
    • 1-(Phenylthio)propan-2-one|CS-0453137
      5042-53-5

    References

    • Ranu, Brindaban C.; Jana, Ranjan Advanced Synthesis and Catalysis, 2005 , vol. 347, # 14 p. 1811 - 1818
  • Route3
    • null|null
      33840-74-3
    • ~85%
    • 1-(Phenylthio)propan-2-one|CS-0453137
      5042-53-5

    References

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

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
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.3677
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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