Basic information
- CAS
178875-14-4- Standard SMILES
CC1=C(Cc2ccccc2)C(Cc2ccccc2)=C(C)S1=O- InChIKey
WYGKLUBPLMTKQG-UHFFFAOYSA-N- Molecular formula
- C20H20OS
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.12348643
Names & identifiers
- Preferred name
- Thiophene, 2,5-dimethyl-3,4-bis(phenylmethyl)-, 1-oxide
- IUPAC
- 3,4-dibenzyl-2,5-dimethylthiophene 1-oxide
Names & synonyms
178875-14-4Thiophene, 2,5-dimethyl-3,4-bis(phenylmethyl)-, 1-oxideNSC7088763,5-dimethylthiophene-S-oxideCHEMBL1994855DTXSID60327982NSC-708876NCI60_0384873,4-Dibenzyl-2,5-dimethylthiophene-S-oxide3,4-Dibenzyl-2,5-dimethyl-1H-1lambda~4~-thiophen-1-one
Database identifiers
- CAS
178875-14-4- PubChem CID
- 398745
- DTXSID
DTXSID60327982- ChEMBL
CHEMBL1994855- Nikkaji
- J1.432.647B
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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