3-{5,6-dimethyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]thieno[2,3-d][1,3]thiazol-3(2H)-yl}propane-1-sulfonate
Chemical Structure Depiction of
3-{5,6-dimethyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]thieno[2,3-d][1,3]thiazol-3(2H)-yl}propane-1-sulfonate
3-{5,6-dimethyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]thieno[2,3-d][1,3]thiazol-3(2H)-yl}propane-1-sulfonate
Compound characteristics
| Compound ID: | 7165-0582 |
| Compound Name: | 3-{5,6-dimethyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]thieno[2,3-d][1,3]thiazol-3(2H)-yl}propane-1-sulfonate |
| Molecular Weight: | 452.63 |
| Molecular Formula: | C19 H20 N2 O3 S4 |
| Smiles: | Cc1c2c(N(CCCS([O-])(=O)=O)/C(=C/c3[n+](C)c4ccccc4s3)S2)sc1C |
| Stereo: | ACHIRAL |
| logP: | 3.4884 |
| logD: | 3.4884 |
| logSw: | -3.5917 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.992 |
| InChI Key: | MMFOVGBUOONJSN-UHFFFAOYSA-N |