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Total: USD 88.00

tert-Butyl 3-amino-3-thioxopropanoate

  • CAS No. 690-76-6

  • Cat. No. CS-0380780
  • Purity≥97%
  • MDL No.None

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

tert-Butyl 3-amino-3-thioxopropanoate|CS-0380780

Structure of 690-76-6

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General Information

  • CAS No. 690-76-6
  • Cat. No. CS-0380780
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₃NO₂S
  • Molecular Weight 175.25
  • Synonym(s) Tert-butyl 2-carbamothioylacetate
  • SMILES O=C(CC(N)=S)OC(C)(C)C

Synthesis

  • Route1

    References

    • MERCK and CO., INC. Patent: WO2007/64553 A2, 2007 ; Location in patent: Page/Page column 103 ; WO 2007/064553 A2
  • Route2

    References

    • Brillon Synthetic Communications, 1992 , vol. 22, # 10 p. 1397 - 1401

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   1.0043
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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