3-methyl-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)butan-2-one
Chemical Structure Depiction of
3-methyl-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)butan-2-one
3-methyl-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)butan-2-one
Compound characteristics
| Compound ID: | 1889-2818 |
| Compound Name: | 3-methyl-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)butan-2-one |
| Molecular Weight: | 233.33 |
| Molecular Formula: | C13 H15 N O S |
| Smiles: | CC(C)C(\C=C1/N(C)c2ccccc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0838 |
| logD: | 3.0838 |
| logSw: | -3.425 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 14.9355 |
| InChI Key: | BTBCUXLMZAUKJX-UHFFFAOYSA-N |