AC1M4CKE structure

AC1M4CKE

3-ethyl-2-[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: 3-ethyl-2-[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-phenyl-1,3-benzoxazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl]-5,6-dimethyl-1,3-benzothiazol-3-ium

CAS: 29133-40-2
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 29133-40-2
SMILES CCN1C2=C(C=CC(=C2)C3=CC=CC=C3)OC1=CC(=CC4=[N+](C5=C(S4)C=C(C(=C5)C)C)CC)C

Product Overview

AC1M4CKE (CAS 29133-40-2), with molecular formula C30H31N2OS+ and molecular weight 467.2157 g/mol. IUPAC: 3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole.

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