Basic information
- CAS
6398-99-8- Standard SMILES
C=CCn1c(SCc2ccccc2)nccc1=O- InChIKey
UYGGYGZRAQYPKI-UHFFFAOYSA-N- Molecular formula
- C14H14N2OS
- Average molar mass
- 258.34 g/mol
- Monoisotopic mass
- 258.08268425
Names & identifiers
- Preferred name
- 2-Benzylsulfanyl-3-prop-2-enylpyrimidin-4-one
- IUPAC
- 2-benzylsulfanyl-3-prop-2-enylpyrimidin-4-one
Names & synonyms
6398-99-82-benzylsulfanyl-3-prop-2-enylpyrimidin-4-oneDTXSID80293337RefChem:256629DTXCID502444773-Allyl-2-(benzylthio)pyrimidin-4(3H)-oneNSC888012-(benzylsulfanyl)-3-(prop-2-en-1-yl)pyrimidin-4(3h)-one3-allyl-2-benzylthio-4-pyrimidinoneNSC-88801
Database identifiers
- CAS
6398-99-8- PubChem CID
- 259149
- DTXSID
DTXSID80293337
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…