2-{[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]sulfanyl}-1,3-benzothiazole
Chemical Structure Depiction of
2-{[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]sulfanyl}-1,3-benzothiazole
2-{[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]sulfanyl}-1,3-benzothiazole
Compound characteristics
| Compound ID: | 8005-2226 |
| Compound Name: | 2-{[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]sulfanyl}-1,3-benzothiazole |
| Molecular Weight: | 392.38 |
| Molecular Formula: | C18 H18 Br N S2 |
| Smiles: | Cc1c(C)c(c(C)c(C)c1CSc1nc2ccccc2s1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.1513 |
| logD: | 7.1513 |
| logSw: | -5.9903 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 9.0483 |
| InChI Key: | ZJIICKAPXCLSEU-UHFFFAOYSA-N |