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CS-W001157 4
Total: USD 88.00

Ethyl 3-amino-3-thioxopropanoate

  • CAS No. 13621-50-6

  • Cat. No. CS-W005154
  • Molecule weight147.20
  • Purity≥97%
  • MDL No.MFCD06245286

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

Ethyl 3-amino-3-thioxopropanoate|CS-W005154

Structure of 13621-50-6

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General Information

  • CAS No. 13621-50-6
  • Cat. No. CS-W005154
  • Purity ≥97%
  • MDL No. MFCD06245286
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₉NO₂S
  • Molecular Weight 147.20
  • Synonym(s) THIOCARBAMOYL ACETIC ACID ETHYL ESTER ETHYL 3-AMINO-3-THIOXOPROPANOATE
  • SMILES O=C(OCC)CC(N)=S

Synthesis

  • Route1
    • null|null
      105-56-6
    • ~96%
    • In-stock
      Ethyl 3-amino-3-thioxopropanoate|CS-W005154
      13621-50-6

    References

    • PTC THERAPEUTICS, INC.; F. HOFFMANN-LA ROCHE AG; WOLL, Matthew G.; CHEN, Guangming; CHOI, Soongyu; DAKKA, Amal; HUANG, Song; KARP, Gary Mitchell; LEE, Chang-Sun; LI, Chunshi; NARASIMHAN, Jana; NARYSHKIN, Nikolai; PAUSHKIN, Sergey; QI, Hongyan; TURPOFF, Anthony A.; WEETALL, Marla L.; WELCH, Ellen; YANG, Tianle; ZHANG, Nanjing; ZHANG, Xiaoyan; ZHAO, Xin; PINARD, Emmanuel; RATNI, Hasane Patent: WO2013/101974 A1, 2013 ; Location in patent: Paragraph 00704; 00705 ;

Safety Information

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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

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   0.2257
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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