Acetophenone, 2-(1-imidazolyl)-4'-(propylthio)-
Basic information
- CAS
73932-13-5- Standard SMILES
CCCSc1ccc(C(=O)Cn2ccnc2)cc1- InChIKey
BZMZMIMVNYUOIC-UHFFFAOYSA-N- Molecular formula
- C14H16N2OS
- Average molar mass
- 260.36 g/mol
- Monoisotopic mass
- 260.09833431
Names & identifiers
- Preferred name
- Acetophenone, 2-(1-imidazolyl)-4'-(propylthio)-
- IUPAC
- 2-imidazol-1-yl-1-(4-propylsulfanylphenyl)ethanone
Names & synonyms
2-(1-Imidazolyl)-4'-(propylthio)acetophenone73932-13-5ACETOPHENONE, 2-(1-IMIDAZOLYL)-4'-(PROPYLTHIO)-DTXSID70224594RefChem:316899DTXCID001470852-(1H-imidazol-1-yl)-1-[4-(propylsulfanyl)phenyl]ethan-1-one
Database identifiers
- CAS
73932-13-5- PubChem CID
- 52764
- DTXSID
DTXSID70224594- Nikkaji
- J90.768E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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