Molecule ID: 104321

IUPAC Name: (4-ethylphenyl)-thiophen-2-ylmethanone

Description: The molecule is a thiophene substituted at C-2 by a 4-ethylbenzoyl group. It has a role as an epitope. It is a member of thiophenes and an aromatic ketone.

SMILES: CCc1ccc(C(=O)c2cccs2)cc1

SELFIES: [C][C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=N]

InChI: InChI=1S/C13H12OS/c1-2-10-5-7-11(8-6-10)13(14)12-4-3-9-15-12/h3-9H,2H2,1H3

Molecular Properties:
- Polar Surface Area: 45.3 Ų
- LogP: 4.1