Ethyl 2-[3,4-dichlorobenzylthio]-4-hydroxy-5-pyrimidinecarboxylate
Basic information
- CAS
6944-74-7- Standard SMILES
CCOC(=O)c1cnc(SCc2ccc(Cl)c(Cl)c2)[nH]c1=O- InChIKey
MCXGHFVAMGGODL-UHFFFAOYSA-N- Molecular formula
- C14H12Cl2N2O3S
- Average molar mass
- 359.2 g/mol
- Monoisotopic mass
- 357.9945688
Names & identifiers
- Preferred name
- Ethyl 2-[3,4-dichlorobenzylthio]-4-hydroxy-5-pyrimidinecarboxylate
- IUPAC
- ethyl 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidine-5-carboxylate
- English name
- Ethyl 2-[(3,4-dichlorobenzyl)sulfanyl]-4-hydroxy-5-pyrimidinecarboxyla te
- Molecular weight
- 0
Names & synonyms
6944-74-7NSC58980NCIOpen2_007895DTXSID90289089MCXGHFVAMGGODL-UHFFFAOYSA-NEthyl 2-[3,4-dichlorobenzylthio]-4-hydroxy-5-pyrimidinecarboxylateNSC-58980Ethyl 2-[(3,4-dichlorobenzyl)sulfanyl]-4-hydroxy-5-pyrimidinecarboxylate #Ethyl 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carboxylateEthyl 2-[(3,4-dichlorobenzyl)sulfanyl]-4-hydroxy-5-pyrimidinecarboxyla te
Database identifiers
- CAS
6944-74-7- PubChem CID
- 246274
- DTXSID
DTXSID90289089
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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