Benzothiazolium, 2-[2-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(3-methyl-2(3H)-benzothiazolylidene)-1-propen-1-yl]-6-methoxy-3-methyl-, iodide (1:1)
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![Benzothiazolium, 2-[2-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(3-methyl-2(3H)-benzothiazolylidene)-1-propen-1-yl]-6-methoxy-3-methyl-, iodide (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6735558ecb0f4f58b4bf8b978a0d4106.png "Benzothiazolium, 2-[2-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(3-methyl-2(3H)-benzothiazolylidene)-1-propen-1-yl]-6-methoxy-3-methyl-, iodide (1:1)")
Benzothiazolium, 2-[2-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(3-methyl-2(3H)-benzothiazolylidene)-1-propen-1-yl]-6-methoxy-3-methyl-, iodide (1:1)
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CAS No:
42034-61-7
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Formula:
C31H29N4O2S2.I
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Chemical Name:
Benzothiazolium, 2-[2-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(3-methyl-2(3H)-benzothiazolylidene)-1-propen-1-yl]-6-methoxy-3-methyl-, iodide (1:1)
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Synonyms:
Benzothiazolium,2-[2-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(3-methyl-2(3H)-benzothiazolylidene)-1-propen-1-yl]-6-methoxy-3-methyl-,iodide (1:1);Benzothiazolium,2-[2-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(3-methyl-2(3H)-benzothiazolylidene)-1-propenyl]-6-methoxy-3-methyl-,iodide
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CAS No:
Benzothiazolium, 2-[2-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(3-methyl-2(3H)-benzothiazolylidene)-1-propen-1-yl]-6-methoxy-3-methyl-, iodide (1:1) Basic Attributes
680.62203
680.07767 g/mol
255-634-2
Computed Properties
Molecular Weight:680.6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:680.07767
Monoisotopic Mass:680.07767
Topological Polar Surface Area:93.4
Heavy Atom Count:40
Complexity:1040
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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