5-(hydroxymethyl)-2-methyl-4-(phenylsulfanyl)thiophene-3-carboxylic acid
Chemical Structure Depiction of
5-(hydroxymethyl)-2-methyl-4-(phenylsulfanyl)thiophene-3-carboxylic acid
5-(hydroxymethyl)-2-methyl-4-(phenylsulfanyl)thiophene-3-carboxylic acid
Compound characteristics
| Compound ID: | 8008-4457 |
| Compound Name: | 5-(hydroxymethyl)-2-methyl-4-(phenylsulfanyl)thiophene-3-carboxylic acid |
| Molecular Weight: | 280.36 |
| Molecular Formula: | C13 H12 O3 S2 |
| Smiles: | Cc1c(C(O)=O)c(c(CO)s1)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0255 |
| logD: | -0.0248 |
| logSw: | -2.9432 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.508 |
| InChI Key: | LLMBBGTWNBZVGS-UHFFFAOYSA-N |