4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid
4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid
Also Known As: 4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid|AURAMINEG|4,5,6,7-Tetrahydrobenzo[c]thiophene-1-carboxylic acid|CHEMBRDG-BB 4402365|Fr12446|2-Carboxy-tetrahydro-benzo
| Molecular Formula | C9H10O2S |
|---|---|
| Molecular Weight | 182.04015 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.04015 |
| Monoisotopic Mass | 182.04015 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 6435-75-2 |
|---|---|
| SMILES | C1CCC2=C(SC=C2C1)C(=O)O |
| InChIKey | ZBNTUDLPJCXPNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid (CAS 6435-75-2), with molecular formula C9H10O2S and molecular weight 182.04015 g/mol. IUPAC: 4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid.