Basic information
- CAS
91528-05-1- Standard SMILES
CC(C)c1ccc(Sc2ccc(F)cc2CC(=O)O)cc1- InChIKey
QPNAHWPKIIHDRM-UHFFFAOYSA-N- Molecular formula
- C17H17FO2S
- Average molar mass
- 304.4 g/mol
Names & identifiers
- Preferred name
- {5-Fluoro-2-[(4-isopropylphenyl)sulfanyl]phenyl}acetic acid
- IUPAC
- 2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid
- English name
- {5-fluoro-2-[(4-isopropylphenyl)sulfanyl]phenyl}acetic acid
- Molecular formula
- C17H17FO2S
- Molecular weight
- 304.3790832
Names & synonyms
AE-641/00356014CHEMBL4589358SCHEMBL17296946{5-fluoro-2-[(4-isopropylphenyl)sulfanyl]phenyl}acetic acid2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid
Database identifiers
- CAS
91528-05-1- ChEMBL
CHEMBL4589358
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 340
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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