Acetophenone, 4'-(ethylthio)-2-(1-imidazolyl)-
Basic information
- CAS
73932-12-4- Standard SMILES
CCSc1ccc(C(=O)Cn2ccnc2)cc1- InChIKey
LCDOZUVVLVSCHH-UHFFFAOYSA-N- Molecular formula
- C13H14N2OS
- Average molar mass
- 246.33 g/mol
- Monoisotopic mass
- 246.08268425
Names & identifiers
- Preferred name
- Acetophenone, 4'-(ethylthio)-2-(1-imidazolyl)-
- IUPAC
- 1-(4-ethylsulfanylphenyl)-2-imidazol-1-ylethanone
Names & synonyms
4'-(Ethylthio)-2-(1-imidazolyl)acetophenone73932-12-4ACETOPHENONE, 4'-(ETHYLTHIO)-2-(1-IMIDAZOLYL)-2-(1-Imidazolyl)-4'-(ethylthio)acetophenoneDTXSID10224593RefChem:316957DTXCID401470841-[4-(ethylsulfanyl)phenyl]-2-(1H-imidazol-1-yl)ethan-1-one
Database identifiers
- CAS
73932-12-4- PubChem CID
- 52763
- DTXSID
DTXSID10224593- Nikkaji
- J90.743J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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