Acetophenone, 2-(1-imidazolyl)-3'-(phenylthio)-
Basic information
- CAS
73932-18-0- Standard SMILES
O=C(Cn1ccnc1)c1cccc(Sc2ccccc2)c1- InChIKey
CGZCKXZRJJNUNX-UHFFFAOYSA-N- Molecular formula
- C17H14N2OS
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.08268425
Names & identifiers
- Preferred name
- Acetophenone, 2-(1-imidazolyl)-3'-(phenylthio)-
- IUPAC
- 2-imidazol-1-yl-1-(3-phenylsulfanylphenyl)ethanone
Names & synonyms
2-(1-Imidazolyl)-3'-(phenylthio)acetophenone73932-18-0ACETOPHENONE, 2-(1-IMIDAZOLYL)-3'-(PHENYLTHIO)-DTXSID70224599RefChem:316894DTXCID501470902-(1H-imidazol-1-yl)-1-[3-(phenylsulfanyl)phenyl]ethan-1-one
Database identifiers
- CAS
73932-18-0- PubChem CID
- 52769
- DTXSID
DTXSID70224599- Nikkaji
- J90.766I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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