3,3′-Diethyl-9-methylthiacarbocyanine iodide
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3,3′-Diethyl-9-methylthiacarbocyanine iodide
structure -
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CAS No:
3065-79-0
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Formula:
C22H23N2S2.I
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Chemical Name:
3,3′-Diethyl-9-methylthiacarbocyanine iodide
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Synonyms:
Benzothiazolium,3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-,iodide (1:1);Benzothiazolium,3-ethyl-2-[3-(3-ethyl-2-benzothiazolinylidene)-2-methylpropenyl]-,iodide;Benzothiazolium,3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl]-,iodide;3-Ethyl-2-[3-(3-ethyl-2-benzothiazolinylidene)-2-methylpropenyl]benzothiazolium iodide;Thiacarbocyanine iodide,3,3′-diethyl-9-methyl-;3,3′-Diethyl-9-methylthiacarbocyanine iodide;3,3′-Diethyl-9-methyl-2,2′-thiacarbocyanine iodide;Bis(3-ethyl-2-benzothiazole)-β-methyltrimethinecyanine iodide;NK 77;ST 656;3-Ethyl-2-(3-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl)benzo[d]thiazol-3-ium iodide;51895-84-2
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CAS No:
3,3′-Diethyl-9-methylthiacarbocyanine iodide Basic Attributes
506.46600
506.03500
221-317-2
29349990
Safety Information
3
R20/21/22
S36
DL7047000
Xn: Harmful;
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3,3′-Diethyl-9-methylthiacarbocyanine iodide Use and Manufacturing
Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-, iodide (1:1): ACTIVE
Computed Properties
Molecular Weight:506.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:506.03474
Monoisotopic Mass:506.03474
Topological Polar Surface Area:60.7
Heavy Atom Count:27
Complexity:511
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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3,3′-Diethyl-9-methylthiacarbocyanine iodide
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