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CS-W001157 4
Total: USD 88.00

2-(3-Methylphenyl)ethanethioamide

  • CAS No. 6487-91-8

  • Cat. No. CS-0249094
  • Purity≥97%
  • MDL No.None

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

2-(3-Methylphenyl)ethanethioamide|CS-0249094

Structure of 6487-91-8

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General Information

  • CAS No. 6487-91-8
  • Cat. No. CS-0249094
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NS
  • Molecular Weight 165.26
  • Synonym(s) 2-(2-AMINOETHYLAMINO)ETHANOL-D4
  • SMILES CC1=CC(CC(N)=S)=CC=C1

Synthesis

  • Route1

    References

    • Takeda Pharmaceutical Company Limited Patent: EP2530078 A1, 2012 ; Location in patent: Page/Page column 191 ;
  • Route2
    • null|null
      90765-38-1
    • ~81%
    • 2-(3-Methylphenyl)ethanethioamide|CS-0249094
      6487-91-8

    References

    • BAYER HEALTHCARE AG Patent: WO2005/97784 A1, 2005 ; Location in patent: Page/Page column 67 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-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   26.02
  • LogP   1.82362
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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