3-{2-[2-(methylsulfanyl)prop-1-en-1-yl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
					Chemical Structure Depiction of
3-{2-[2-(methylsulfanyl)prop-1-en-1-yl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
			3-{2-[2-(methylsulfanyl)prop-1-en-1-yl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
Compound characteristics
| Compound ID: | 0456-0046 | 
| Compound Name: | 3-{2-[2-(methylsulfanyl)prop-1-en-1-yl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate | 
| Molecular Weight: | 343.48 | 
| Molecular Formula: | C14 H17 N O3 S3 | 
| Smiles: | C/C(=C\c1[n+](CCCS([O-])(=O)=O)c2ccccc2s1)SC | 
| Stereo: | ACHIRAL | 
| logP: | 2.0587 | 
| logD: | 2.0587 | 
| logSw: | -2.1072 | 
| Hydrogen bond acceptors count: | 6 | 
| Polar surface area: | 44.318 | 
| InChI Key: | QHEXCCPGDZFCPP-UHFFFAOYSA-N | 
 
				 
				