Basic information
- CAS
5518-76-3- Standard SMILES
CCOC(=O)c1cnc(SCC)[nH]c1=O- InChIKey
OVUWQJVYJRQMSC-UHFFFAOYSA-N- Molecular formula
- C9H12N2O3S
- Average molar mass
- 228.27 g/mol
- Monoisotopic mass
- 228.05686342
Names & identifiers
- Preferred name
- 5-Pyrimidinecarboxylic acid, 2-(ethylthio)-4-hydroxy-, ethyl ester
- IUPAC
- ethyl 2-ethylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate
- English name
- 2-Ethylthio-1,4-dihydro-4-oxo-5-pyrimidinecarboxylic acid ethyl ester
- Molecular formula
- C9H12N2O3S
- Molecular weight
- 228.27
Names & synonyms
5518-76-3Ethyl 2-(ethylthio)-4-hydroxypyrimidine-5-carboxylateethyl 2-ethylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate5-Pyrimidinecarboxylic acid, 2-(ethylthio)-4-hydroxy-, ethyl esterethyl 2-(ethylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxylateethyl 2-(ethylsulfanyl)-4-hydroxypyrimidine-5-carboxylateMLS000737365ETHYL 2-(ETHYLTHIO)-4-HYDROXY-5-PYRIMIDINECARBOXYLATE2-Ethylsulfanyl-4-hydroxy-pyrimidine-5-carboxylic acid ethyl esterSMR0000091115-Carbethoxy-2-ethylmercapto-4-hydroxypyrimidineNSC60266
Show more names
5-PyriMidinecarboxylic acid, 2-(ethylthio)-1,6-dihydro-6-oxo-, e2-Ethylthio-1,4-dihydro-4-oxo-5-pyrimidinecarboxylic acid ethyl ester2-(Ethylthio)-1,6-dihydro-6-oxo-5-Pyrimidinecarboxylicacid ethylesterEthyl Ester 2-(Ethylthio)-1,6-dihydro-6-oxo-5-pyrimidinecarboxylic Acid2-ethylmercapto-6-oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester5-PyriMidinecarboxylic acid, 2-(ethylthio)-1,6-dihydro-6-oxo-, ethyl ester
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 336
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
斯派螺（武汉）药物研发有限公司[email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
上海丝帆医药科技有限公司18916696128 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
上海皓元医药股份有限公司021-58950125 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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