Basic information
- CAS
40198-53-6- Standard SMILES
CC(Sc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)o1)C(=O)O- InChIKey
WGDADRBTCPGSDG-UHFFFAOYSA-N- Molecular formula
- C18H13Cl2NO3S
- Average molar mass
- 394.3 g/mol
- Monoisotopic mass
- 392.9993198
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Tioxaprofen
- IUPAC
- 2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid
- English name
- tioxaprofen
- Molecular formula
- C18H13Cl2NO3S
- Molecular weight
- 394.27
Names & synonyms
Tioxaprofen40198-53-6TioxaprofeneTioxaprofenoTioxaprofenumRA6D4LW87KEMD-26644Propanoic acid, 2-((4,5-bis(4-chlorophenyl)-2-oxazolyl)thio)-RefChem:190097EMD 26 6442-(4,5-bis(p-chlorophenyl)oxazolyl-(2)-thio)propionic acid254-834-7
Show more names
2-[[4,5-Bis(4-chlorophenyl)oxazol-2-yl]thio]propionic acid2-[[4,5-Bis(4-chlorophenyl)oxazol-2-yl]thio]propanoic acidPropanoic acid, 2-[[4,5-bis(4-chlorophenyl)-2-oxazolyl]thio]-
Emd 266442-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acidTioxaprofenum [INN-Latin]2-{[4,5-BIS(4-CHLOROPHENYL)-1,3-OXAZOL-2-YL]SULFANYL}PROPANOIC ACIDTioxaprofene [INN-French]Tioxaprofeno [INN-Spanish]Mercaptooxazolyl carboxylic acidTioxaprofen [INN:BAN]
Database identifiers
- CAS
40198-53-6- PubChem CID
- 72154
- DTXSID
DTXSID60865990- ChEMBL
CHEMBL2106679
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 454
Physicochemical properties
- Boiling point
- 536 · 536.0±60.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- 3.21 · 3.21±0.10(Predicted)
- FDA UNII
- 6 D4LW87K · RA6D4LW87K
Chemistry & industry
Applications
UsesTioxaprofen is a new anti-mycotic drug against Trichophyton mentagrophytes and T. rubrum, and is a potent uncoupling agent of mitochondrial respiration[1].
Suppliers2 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…