3-(2-carboxyethyl)-5-methoxy-2-methyl-1,3-benzothiazol-3-ium--bromide (1/1)
Chemical Structure Depiction of
3-(2-carboxyethyl)-5-methoxy-2-methyl-1,3-benzothiazol-3-ium--bromide (1/1)
3-(2-carboxyethyl)-5-methoxy-2-methyl-1,3-benzothiazol-3-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 7165-0444 |
| Compound Name: | 3-(2-carboxyethyl)-5-methoxy-2-methyl-1,3-benzothiazol-3-ium--bromide (1/1) |
| Molecular Weight: | 332.21 |
| Molecular Formula: | C12 H14 N O3 S |
| Salt: | Br- |
| Smiles: | Cc1[n+](CCC(O)=O)c2cc(ccc2s1)OC |
| Stereo: | ACHIRAL |
| logP: | 1.6727 |
| logD: | -1.1346 |
| logSw: | -2.0543 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.676 |
| InChI Key: | MFCKADSULAZYFQ-UHFFFAOYSA-O |