4(1H)-Pyrimidinone, 2,3-dihydro-1-((2-hydroxyethoxy)methyl)-5-methyl-6-(phenylthio)-2-thioxo-
Basic information
- CAS
125057-07-0- Standard SMILES
Cc1c(Sc2ccccc2)n(COCCO)c(=S)[nH]c1=O- InChIKey
VXIBYIHJONGOIE-UHFFFAOYSA-N- Molecular formula
- C14H16N2O3S2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.06023472
Names & identifiers
- Preferred name
- 4(1H)-Pyrimidinone, 2,3-dihydro-1-((2-hydroxyethoxy)methyl)-5-methyl-6-(phenylthio)-2-thioxo-
- IUPAC
- 1-(2-hydroxyethoxymethyl)-5-methyl-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one
Names & synonyms
HEPT-S125057-07-04(1H)-Pyrimidinone, 2,3-dihydro-1-((2-hydroxyethoxy)methyl)-5-methyl-6-(phenylthio)-2-thioxo-4(1H)-Pyrimidinone, 2,3-dihydro-1-[(2-hydroxyethoxy)methyl]-5-methyl-6-(phenylthio)-2-thioxo-CHEMBL32457SCHEMBL2036799DTXSID101546241-[(2-Hydroxyethoxy)methyl]-6-(phenylthio)-2-thiothymine1-(2-hydroxyethoxymethyl)-5-methyl-6-phenylsulfanyl-2-thioxo-pyrimidin-4-one1-[(2-Hydroxyethoxy)methyl]-5-methyl-6-(phenylsulfanyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Database identifiers
- CAS
125057-07-0- PubChem CID
- 3000304
- DTXSID
DTXSID10154624- ChEMBL
CHEMBL32457- Nikkaji
- J364.120A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 434
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Compound notes
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