Basic information
- CAS
733044-95-6- Standard SMILES
COc1ccc(C(C)=O)cc1CSc1ncccn1- InChIKey
IJJJQLCNLWTGPW-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2S
- Average molar mass
- 274.34 g/mol
- Monoisotopic mass
- 274.07759887
Names & identifiers
- Preferred name
- 1-{4-Methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one
- IUPAC
- 1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanone
Names & synonyms
733044-95-61-{4-methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one1-[4-Methoxy-3-(pyrimidin-2-ylsulfanylmethyl)-phenyl]-ethanone1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanone1-(4-Methoxy-3-((pyrimidin-2-ylthio)methyl)phenyl)ethan-1-oneMLS000516723CHEMBL1712868HMS2651G19AKOS008904627SMR000342829CS-0219831EN300-05058
Show more names
G30359SR-01000042696SR-01000042696-1Z18380062
Database identifiers
- CAS
733044-95-6- PubChem CID
- 2363732
- ChEMBL
CHEMBL1712868- EC Number
- 193-277-3
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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