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CS-W001157 4
Total: USD 88.00

S-(3-bromopropyl) ethanethioate

  • CAS No. 928-46-1

  • Cat. No. CS-0539608
  • Molecule weight197.09
  • Purity≥98%
  • MDL No.None

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

S-(3-bromopropyl) ethanethioate|CS-0539608

Structure of 928-46-1

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General Information

  • CAS No. 928-46-1
  • Cat. No. CS-0539608
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₉BrOS
  • Molecular Weight 197.09
  • Synonym(s) thioacetic acid S-(3-broMopropyl) ester
  • SMILES CC(=O)SCCCBr

Synthesis

  • Route1

    References

    • UNIVERSITY OF SOUTHERN CALIFORNIA; SHIH, Jean, C.; CHUNG, Leland; ZHAU, Haiyen, E.; WU, Boyang, Jason; OLENYUK, Bogdan Patent: WO2013/16580 A2, 2013 ; Location in patent: Paragraph 120 ;
  • Route2

    References

    • Zhi, Jian; Xiao, Yuli; Hu, Aiguo Synthetic Communications, 2012 , vol. 42, # 6 p. 914 - 920
  • Route3

    References

    • Trippe, Gaelle; Ocafrain, Maitena; Besbes, Mohamed; Monroche, Vincent; Lyskawa, Joel; Le Derf, Franck; Salle, Marc; Becher, Jan; Colonna, Barbara; Echegoyen, Luis New Journal of Chemistry, 2002 , vol. 26, # 10 p. 1320 - 1323

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.0511
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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