Showing Metabocard for formylthiophene (BASm0007609)
| Common Name | Formylthiophene |
|---|---|
| Description | 2-Thiophenecarboxaldehyde is a flavour ingredien |
| Structure | |
| Molecular Formula | C5H4OS |
| Average Mass | 112.15000 |
| Monoisotopic Mass | 111.99829 |
| IUPAC Name | thiophene-2-carbaldehyde |
| Traditional Name | Thiophene-2-carboxaldehyde |
| CAS Registry Number | 1998-03-03 |
| SMILES | O=Cc1cccs1 |
| InChI Identifier | InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H |
| InChI Key | CNUDBTRUORMMPA-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:87301 |
| HMDB ID | HMDB0029717 |
| State | Not Available |
| Water Solubility | 1.31e+00 g/l |
| logP | 1.00 |
| logS | -1.93 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | -7.52 |
| Hydrogen Acceptor Count | 1 |
| Hydrogen Donor Count | 0 |
| Polar Surface Area | 17.07 Ų |
| Rotatable Bond Count | 1 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 29.53 m³·mol⁻¹ |
| Polarizability | 10.67 |