3,3′-Diethylthiatricarbocyanine iodide
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3,3′-Diethylthiatricarbocyanine iodide
structure -
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CAS No:
3071-70-3
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Formula:
C25H25N2S2.I
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Chemical Name:
3,3′-Diethylthiatricarbocyanine iodide
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Synonyms:
Benzothiazolium,3-ethyl-2-[7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrien-1-yl]-,iodide (1:1);Benzothiazolium,3-ethyl-2-[7-(3-ethyl-2-benzothiazolinylidene)-1,3,5-heptatrienyl]-,iodide;Benzothiazolium,3-ethyl-2-[7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrienyl]-,iodide;3-Ethyl-2-[7-(3-ethyl-2-benzothiazolinylidene)-1,3,5-heptatrienyl]benzothiazolium iodide;Thiatricarbocyanine iodide,3,3′-diethyl-;3,3′-Diethylthiatricarbocyanine iodide;3,3′-Diethyl-2,2′-thiatricarbocyanine iodide;DTTC;NK 126;DTTCI;D 4773;51895-79-5;89013-15-0;1201170-50-4
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CAS No:
Safety Information
III
6.1(b)
UN 2811
3
R20/21/22;R36/37/38
S26;S36/S37
DL7045000
Xn: Harmful;
P261-P280-P305 + P351 + P338
H302-H312-H315-H319-H332-H335
|Warning|H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3,3′-Diethylthiatricarbocyanine iodide Use and Manufacturing
Benzothiazolium, 3-ethyl-2-[7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrien-1-yl]-, iodide (1:1): ACTIVE
Computed Properties
Molecular Weight:544.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:544.05039
Monoisotopic Mass:544.05039
Topological Polar Surface Area:60.7
Heavy Atom Count:30
Complexity:601
Undefined Bond Stereocenter Count:4
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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3,3′-Diethylthiatricarbocyanine iodide
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