Benzothiazolium, 2-[2-[(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt
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![Benzothiazolium, 2-[2-[(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9e6749313056447789cb10814cfe2289.png "Benzothiazolium, 2-[2-[(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt")
Benzothiazolium, 2-[2-[(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt
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CAS No:
29213-78-3
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Formula:
C26H29ClN2O3S3
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Chemical Name:
Benzothiazolium, 2-[2-[(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt
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Synonyms:
Benzothiazolium,2-[2-[(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5,6-dimethyl-3-(3-sulfopropyl)-,inner salt;Benzothiazolium,2-[2-[(5-chloro-3-ethyl-2-benzothiazolinylidene)methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfopropyl)-,hydroxide,inner salt;Benzothiazolium,2-[2-[(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfopropyl)-,hydroxide,inner salt;2-[2-[(5-Chloro-3-ethyl-2-benzothiazolinylidene)methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfopropyl)benzothiazolium hydroxide,inner salt;Benzothiazolium,2-[2-[(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfopropyl)-,inner salt
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CAS No:
Benzothiazolium, 2-[2-[(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt Basic Attributes
549.16806
548.1028840
249-515-4
DTXSID90183472
Computed Properties
Molecular Weight:549.2
XLogP3:7.5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:548.1028840
Monoisotopic Mass:548.1028840
Topological Polar Surface Area:126
Heavy Atom Count:35
Complexity:893
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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