Lot numbers can be found on the outside label of a product:
Ethyl 1,2,3-thiadiazole-5-carboxylate
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CAS No. 4100-14-5
- Cat. No. CS-0151698
- Purity≥97%
- MDL No.MFCD00971933
*For research and further manufacturing use only, not for direct human use.
Structure of 4100-14-5
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General Information
- CAS No. 4100-14-5
- Cat. No. CS-0151698
- Purity ≥97%
- MDL No. MFCD00971933
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₅H₆N₂O₂S
- Molecular Weight 158.18
- Synonym(s) None
- SMILES CCOC(=O)C1=CN=NS1
Description
Ethyl 1,2,3-thiadiazole-5-carboxylate features a rigid, electron-deficient thiadiazole core that enhances reactivity in heterocyclic synthesis. This bench-stable ester integrates readily into cross-coupling and cycloaddition workflows, offering predictable regiochemistry and compatibility with diverse reaction conditions.
Application
Ethyl 1,2,3-thiadiazole-5-carboxylate serves as a versatile heterocyclic building block in medicinal chemistry and synthetic organic chemistry. Its stable, bench-ready nature facilitates direct use in cross-coupling reactions, nucleophilic substitution, and transition-metal-catalyzed transformations. The ester functionality enables further derivatization, while the 1,2,3-thiadiazole core provides a rigid, electron-deficient scaffold with proven utility in constructing bioactive molecules and pharmaceutical intermediates.
Synthesis
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Route1
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54977-77-4 - ~68%
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In-stock
4100-14-5
References
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Tripathy, Rabindranath; Ghose, Arup; Singh, Jasbir; Bacon, Edward R.; Angeles, Thelma S.; Yang, Shi X.; Albom, Mark S.; Aimone, Lisa D.; Herman, Joseph L.; Mallamo, John P. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 6 p. 1793 - 1798
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Route2
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In-stock
10601-80-6 - ~%
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In-stock
4100-14-5
References
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Tripathy, Rabindranath; Ghose, Arup; Singh, Jasbir; Bacon, Edward R.; Angeles, Thelma S.; Yang, Shi X.; Albom, Mark S.; Aimone, Lisa D.; Herman, Joseph L.; Mallamo, John P. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 6 p. 1793 - 1798
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Route3
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64-17-5
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4833-09-4 - ~%
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In-stock
4100-14-5
References
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Pain,D.L.; Slack,R. Journal of the Chemical Society, 1965 , p. 5166 - 5176
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS08,GHS09
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H320-H361-H410
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Precautionary Statements : P264-P273-P280-P391-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 52.08
- LogP 0.7148
- H_Acceptors 5
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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