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CS-W001157 4
Total: USD 88.00

3-(Methylthio)propanenitrile

  • CAS No. 54974-63-9

  • Cat. No. CS-0205364
  • Molecule weight101.17
  • Purity95+%
  • MDL No.MFCD00045646

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

3-(Methylthio)propanenitrile|CS-0205364

Structure of 54974-63-9

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General Information

  • CAS No. 54974-63-9
  • Cat. No. CS-0205364
  • Purity 95+%
  • MDL No. MFCD00045646
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₇NS
  • Molecular Weight 101.17
  • Synonym(s) 3-(Methylsulfanyl)propanenitrile
  • SMILES N#CCCSC

Synthesis

  • Route1
    • null|null
      107-13-1
    • null|null
      74-88-4
    • ~79%
    • 3-(Methylthio)propanenitrile|CS-0205364
      54974-63-9

    References

    • Firouzabadi, Habib; Iranpoor, Nasser; Abbasi, Mohammad Tetrahedron, 2009 , vol. 65, # 27 p. 5293 - 5301
  • Route2
    • null|null
      2417-90-5
    • null|null
      5188-07-8
    • ~89%
    • 3-(Methylthio)propanenitrile|CS-0205364
      54974-63-9

    References

    • Moon, Joon-Kwan; Kim, Jun-Ran; Ahn, Young-Joon; Shibamoto, Takayuki Journal of Agricultural and Food Chemistry, 2010 , vol. 58, # 11 p. 6672 - 6677
  • Route3
    • null|null
      74-93-1
    • null|null
      107-13-1
    • ~96%
    • 3-(Methylthio)propanenitrile|CS-0205364
      54974-63-9

    References

    • Bell, Richard; Cottam, Peter D.; Davies, John; Jones, D. Neville Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1981 , # 7 p. 2106 - 2115

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   1.26308
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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