2-[3,3-dichloro-1-nitro-2-(phenylsulfanyl)prop-2-en-1-ylidene]-2,3-dihydro-1,3-benzothiazole
					Chemical Structure Depiction of
2-[3,3-dichloro-1-nitro-2-(phenylsulfanyl)prop-2-en-1-ylidene]-2,3-dihydro-1,3-benzothiazole
			2-[3,3-dichloro-1-nitro-2-(phenylsulfanyl)prop-2-en-1-ylidene]-2,3-dihydro-1,3-benzothiazole
Compound characteristics
| Compound ID: | 4872-0399 | 
| Compound Name: | 2-[3,3-dichloro-1-nitro-2-(phenylsulfanyl)prop-2-en-1-ylidene]-2,3-dihydro-1,3-benzothiazole | 
| Molecular Weight: | 397.3 | 
| Molecular Formula: | C16 H10 Cl2 N2 O2 S2 | 
| Smiles: | c1ccc(cc1)SC(/C(=C1/Nc2ccccc2S1)[N+]([O-])=O)=C([Cl])[Cl] | 
| Stereo: | ACHIRAL | 
| logP: | 5.9103 | 
| logD: | 5.9075 | 
| logSw: | -6.2711 | 
| Hydrogen bond acceptors count: | 6 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 43.47 | 
| InChI Key: | NTTACNPLJJDSMB-UHFFFAOYSA-N | 
 
				 
				