5-Carboxy-2-thiouracil
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5-Carboxy-2-thiouracil
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CAS No:
23945-50-8
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Formula:
C5H4N2O3S
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Chemical Name:
5-Carboxy-2-thiouracil
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Synonyms:
5-Pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-4-oxo-2-thioxo-;5-Pyrimidinecarboxylic acid,4-hydroxy-2-mercapto-;1,2,3,4-Tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylic acid;4-Hydroxy-2-mercapto-5-pyrimidinecarboxylic acid;2-Thiouracil-5-carboxylic acid;5-Uracilcarboxylic acid,2-thio-;2-Mercapto-4-hydroxypyrimidine-5-carboxylic acid;2-Mercapto-5-carboxyuracil;5-Carboxy-2-thiouracil;4-Oxo-1,2,3,4-tetrahydro-2-(thioxo)pyrimidine-5-carboxylic acid;321-22-2;857526-84-2
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CAS No:
5-Carboxy-2-thiouracil Use and Manufacturing
Potassium tertiary butoxide (43.7 g, 389 mmol) and dimethyl sulfoxide (400 ml) were put in a 2-L egg-plant type flask to make a solution, ethyl 2-thiouracil-5-carboxylate (5.0 g, 25.0 mmol) was slowly added dropwise to the solution, and the mixture was subjected to reaction at room temperature for 1 hour. After the completion of the reaction, methanol (500 ml) was added to the reaction mixture, and the precipitate deposited was filtered. The resultant precipitate was dissolved in water, and hydrochloric acid was added to this solution to give Potassium tertiary butoxide (43.7 g, 389 mmol) and dimethyl sulfoxide (400 ml) were put in a 2-L egg-plant type flask to make a solution, ethyl 2-thiouracil-5-carboxylate (5.0 g, 25.0 mmol) was slowly added dropwise to the solution, and the mixture was subjected to reaction at room temperature for 1 hour. After the completion of the reaction, methanol (500 ml) was added to the reaction mixture, and the precipitate deposited was filtered. The resultant precipitate was dissolved in water, and hydrochloric acid was added to this solution to give
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo-: INACTIVE
Computed Properties
Molecular Weight:172.16
XLogP3:-0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:171.99426317
Monoisotopic Mass:171.99426317
Topological Polar Surface Area:111
Heavy Atom Count:11
Complexity:271
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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