3-(2-[(3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM-3-YL)-1-PROPANESULFONATE
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![3-(2-[(3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM-3-YL)-1-PROPANESULFONATE structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f0b22507eabb47d88827d7cf20f075bb.png "3-(2-[(3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM-3-YL)-1-PROPANESULFONATE")
3-(2-[(3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM-3-YL)-1-PROPANESULFONATE
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CAS No:
160649-43-4
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Formula:
C27H28N2O3S3
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Chemical Name:
3-(2-[(3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM-3-YL)-1-PROPANESULFONATE
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Synonyms:
3-(2-[(3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM-3-YL)-1-PROPANESULFONATE;BENZOTHIAZOLIUM, 2-[[3-[(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-2-CYCLOHEXEN-1-YLIDENE]METHYL]-3-(3-SULFOPROPYL)-, INNER SALT
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CAS No:
3-(2-[(3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM-3-YL)-1-PROPANESULFONATE Basic Attributes
524.72
524.126
DTXSID00698704
Computed Properties
Molecular Weight:524.7
XLogP3:5.9
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:524.12620628
Monoisotopic Mass:524.12620628
Topological Polar Surface Area:126
Heavy Atom Count:35
Complexity:942
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
3-(2-[(3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM-3-YL)-1-PROPANESULFONATE
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