Acetophenone, 2-(1-imidazolyl)-4'-(isopropylthio)-
Basic information
- CAS
73932-14-6- Standard SMILES
CC(C)Sc1ccc(C(=O)Cn2ccnc2)cc1- InChIKey
FUFYQTSXDOTCMZ-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'-(isopropylthio)-
- IUPAC
- 2-imidazol-1-yl-1-(4-propan-2-ylsulfanylphenyl)ethanone
Names & synonyms
2-(1-Imidazolyl)-4'-(isopropylthio)acetophenone73932-14-6ACETOPHENONE, 2-(1-IMIDAZOLYL)-4'-(ISOPROPYLTHIO)-DTXSID30224595RefChem:316896DTXCID601470862-(1H-Imidazol-1-yl)-1-{4-[(propan-2-yl)sulfanyl]phenyl}ethan-1-one
Database identifiers
- CAS
73932-14-6- PubChem CID
- 52765
- DTXSID
DTXSID30224595- Nikkaji
- J90.760J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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