5-methoxy-3-methyl-2-[2-(3-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium--iodide (1/1)

Chemical Structure Depiction of
5-methoxy-3-methyl-2-[2-(3-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium--iodide (1/1)
Available: 1 mg
Amount:
mg
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Compound characteristics

Compound ID: 6253-0527
Compound Name: 5-methoxy-3-methyl-2-[2-(3-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium--iodide (1/1)
Molecular Weight: 454.28
Molecular Formula: C17 H15 N2 O3 S
Salt: I-
Smiles: C[n+]1c2cc(ccc2sc1/C=C/c1cccc(c1)[N+]([O-])=O)OC
Stereo: ACHIRAL
logP: 4.4632
logD: 4.4632
logSw: -4.5556
Hydrogen bond acceptors count: 5
Polar surface area: 42.744
InChI Key: WMSQWSIETZBRLJ-RMKNXTFCSA-N
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