Imitrodast
2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid
| Molecular Formula | C13H12N2O2S |
|---|---|
| Molecular Weight | 260.31 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 83.4 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.06195 |
| Heavy Atoms | 18 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 114686-12-3 |
|---|---|
| SMILES | C1CC2=C(C=C1C(=O)O)SC(=C2)CN3C=CN=C3 |
| InChIKey | KRBSZXUPPSXPAN-UHFFFAOYSA-N |
📖 Product Overview
Imitrodast (CAS: 114686-12-3) is a chemical compound with molecular formula C13H12N2O2S and molecular weight 260.31 g/mol. Its IUPAC systematic name is 2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid.
KRBSZXUPPSXPAN-UHFFFAOYSA-N.
SMILES: C1CC2=C(C=C1C(=O)O)SC(=C2)CN3C=CN=C3.
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