5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
Basic information
- CAS
89943-45-3- Standard SMILES
CSc1ncc(CCO)c(=O)[nH]1- InChIKey
XQBLBLYXPNVLMI-UHFFFAOYSA-N- Molecular formula
- C7H10N2O2S
- Average molar mass
- 186.23 g/mol
- Monoisotopic mass
- 186.04629874
Names & identifiers
- Preferred name
- 5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
- IUPAC
- 5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
Names & synonyms
NSC52841089943-45-3SCHEMBL11421113DTXSID50326449NSC-528410DS-0055735-(2-hydroxyethyl)-2-methylsulfanyl-3H-pyrimidin-4-one5-(2-Hydroxyethyl)-2-(methylsulfanyl)pyrimidin-4(3H)-one
Database identifiers
- CAS
89943-45-3- PubChem CID
- 352844
- DTXSID
DTXSID50326449
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 248
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Compound notes
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