3-amino-6-methoxy-2-methyl-1-benzothiophen-1-ium-1-olate
Chemical Structure Depiction of
3-amino-6-methoxy-2-methyl-1-benzothiophen-1-ium-1-olate
3-amino-6-methoxy-2-methyl-1-benzothiophen-1-ium-1-olate
Compound characteristics
| Compound ID: | 8018-4217 |
| Compound Name: | 3-amino-6-methoxy-2-methyl-1-benzothiophen-1-ium-1-olate |
| Molecular Weight: | 209.26 |
| Molecular Formula: | C10 H11 N O2 S |
| Smiles: | CC1=C(c2ccc(cc2[S+]1[O-])OC)N |
| Stereo: | ACHIRAL |
| logP: | 1.8503 |
| logD: | 1.8503 |
| logSw: | -2.4655 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.258 |
| InChI Key: | SGCLKOHUSKTQKR-UHFFFAOYSA-N |