HuagongsheHuagongshe Chemistry Print Report · For research reference only
Di(2-thienyl)acetic acid
2,2-di(thiophen-2-yl)acetic acid · dithien-2-ylacetic acid · Di(2-thienyl)acetic acid · Bis(2-thienyl)acetic acid · 2,2-bis(2-Thienyl)acetic acid · 2,2-bis(thiophen-2-yl)acetic acid · 2-Thiopheneacetic acid, α-2-thienyl-

Identifiers & Physical Properties
| CAS No. | 4408-82-6 |
|---|---|
| Molecular formula | C10H8O2S2 |
| Average molar mass | 224.3 g/mol |
| Monoisotopic mass | 223.9965715 g/mol |
| SMILES | O=C(O)C(c1cccs1)c1cccs1 |
| InChIKey | XOFMKTIZCDSXFR-UHFFFAOYSA-N |
| PubChem CID | 20443 |
| DTXSID | DTXSID60196034 |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 93.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 204 |
| Melting point | 91-94 °C |
| Boiling point | 375.1±32.0 °C(Predicted) |
| Density | 1.404±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 3.69±0.10(Predicted) |
| FDA UNII | UK75PFG19K |