3,3′-Diethylthiacarbocyanine iodide
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3,3′-Diethylthiacarbocyanine iodide
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CAS No:
905-97-5
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Formula:
C21H21N2S2.I
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Chemical Name:
3,3′-Diethylthiacarbocyanine iodide
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Synonyms:
Benzothiazolium,3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-1-propen-1-yl]-,iodide (1:1);Benzothiazolium,3-ethyl-2-[3-(3-ethyl-2-benzothiazolinylidene)propenyl]-,iodide;Benzothiazolium,3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-1-propenyl]-,iodide;3-Ethyl-2-[(3-ethyl-2-benzothiazolinylidene)propenyl]benzothiazolium iodide;Benzothiazolium,3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)propenyl]-,iodide;Thiacarbocyanine iodide,3,3′-diethyl-;Thiazole Purple;3,3′-Diethyl-2,2′-thiacarbocyanine iodide;3,3′-Diethylbenzothiazoliumcarbocyanine iodide;NK 76;Thiacarbocyanine iodide;3,3′-Diethylthiacarbocyanine iodide;NK 180 (dye);NK 180;DTCI;LC 8760;D 283;S 0290;3-Ethyl-2-[3-(3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)prop-1-en-1-yl]-1,3-benzothiazol-3-ium iodide;51895-77-3;57441-51-7;57441-59-5;149560-40-7;203113-05-7;1655529-55-7
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CAS No:
Safety Information
NONH for all modes of transport
3
R36/37/38
26-36
DL7061500
Xi: Irritant;
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:492.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:492.01909
Monoisotopic Mass:492.01909
Topological Polar Surface Area:60.7
Heavy Atom Count:26
Complexity:474
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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3,3′-Diethylthiacarbocyanine iodide
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