AC1O252W
(2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole
Also Known As: (2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole|3-Ethyl-2-[3-(3-ethyl-5,6-dimethylbenzothiazol-2(3H)-ylidene)-2-methyl-1-propenyl]-5-phenylbenzoxazolium
CAS: 47747-80-8
| Molecular Formula | C30H31N2OS+ |
|---|---|
| Molecular Weight | 467.2157 g/mol |
| LogP | 7.65614 |
| Topological Polar Surface Area | 16.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.2157 |
| Monoisotopic Mass | 467.2157 |
| Heavy Atoms | 34 |
| Complexity | 1429.4702 |
Chemical Identifiers
| CAS Number | 47747-80-8 |
|---|---|
| SMILES | CCN\1C2=C(C=CC(=C2)C3=CC=CC=C3)O/C1=C/C(=C/C4=[N+](C5=C(S4)C=C(C(=C5)C)C)CC)/C |
Product Overview
AC1O252W (CAS 47747-80-8), with molecular formula C30H31N2OS+ and molecular weight 467.2157 g/mol. IUPAC: (2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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