Acetophenone, 2-(1-imidazolyl)-4'-(isopentylthio)-
Basic information
- CAS
73932-16-8- Standard SMILES
CC(C)CCSc1ccc(C(=O)Cn2ccnc2)cc1- InChIKey
VNUKVDIMHZFZRB-UHFFFAOYSA-N- Molecular formula
- C16H20N2OS
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.12963444
Names & identifiers
- Preferred name
- Acetophenone, 2-(1-imidazolyl)-4'-(isopentylthio)-
- IUPAC
- 2-imidazol-1-yl-1-[4-(3-methylbutylsulfanyl)phenyl]ethanone
Names & synonyms
2-(1-Imidazolyl)-4'-(isopentylthio)acetophenone73932-16-8ACETOPHENONE, 2-(1-IMIDAZOLYL)-4'-(ISOPENTYLTHIO)-DTXSID50224597RefChem:316895DTXCID801470882-(1H-imidazol-1-yl)-1-{4-[(3-methylbutyl)sulfanyl]phenyl}ethan-1-one
Database identifiers
- CAS
73932-16-8- PubChem CID
- 52767
- DTXSID
DTXSID50224597- Nikkaji
- J90.759F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 301
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Compound notes
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