2-[2-cyclobutyl-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
					Chemical Structure Depiction of
2-[2-cyclobutyl-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
			2-[2-cyclobutyl-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 2324-0018 | 
| Compound Name: | 2-[2-cyclobutyl-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1) | 
| Molecular Weight: | 518.48 | 
| Molecular Formula: | C23 H23 N2 S2 | 
| Salt: | I- | 
| Smiles: | CN1/C(=C/C(=C\c2[n+](C)c3ccccc3s2)\C2CCC2)Sc2ccccc12 | 
| Stereo: | ACHIRAL | 
| logP: | 5.9627 | 
| logD: | 5.9627 | 
| logSw: | -5.6927 | 
| Hydrogen bond acceptors count: | 1 | 
| Polar surface area: | 3.5202 | 
| InChI Key: | MRQCUOXPTUDQLC-UHFFFAOYSA-N | 
 
				 
				