2-(2-Chloro-but-2-enylsulfanyl)-5-methoxy-pyrimidin-4-OL
Basic information
- CAS
883802-90-2- Standard SMILES
C/C=C(\Cl)CSc1ncc(OC)c(=O)[nH]1- InChIKey
ZUTKQDVOKSGWMJ-UTCJRWHESA-N- Molecular formula
- C9H11ClN2O2S
- Average molar mass
- 246.71 g/mol
- Monoisotopic mass
- 246.0229765
Names & identifiers
- Preferred name
- 2-(2-Chloro-but-2-enylsulfanyl)-5-methoxy-pyrimidin-4-OL
- IUPAC
- 2-[(Z)-2-chlorobut-2-enyl]sulfanyl-5-methoxy-1H-pyrimidin-6-one
Names & synonyms
AKOS0243432932-(2-CHLORO-BUT-2-ENYLSULFANYL)-5-METHOXY-PYRIMIDIN-4-OL
Database identifiers
- CAS
883802-90-2- PubChem CID
- 6034166
- EC Number
- 163-024-1
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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