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3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
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![3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c075294edacc4e548ee4f7ac9c6d9bf4.png "3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate")
3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
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CAS No:
317376-29-7
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Formula:
C18H21NO4S4
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Chemical Name:
3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
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Synonyms:
C18H21NO4S4;STK874225;AKOS005609178;3-{5-methoxy-2-[(1Z)-2-(methylsulfanyl)but-1-en-1-yl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl}propane-1-sulfonate;317376-29-7
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CAS No:
3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate Basic Attributes
443.6 g/mol
443.03534285 g/mol
Computed Properties
Molecular Weight:443.6
XLogP3:4.4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:443.03534285
Monoisotopic Mass:443.03534285
Topological Polar Surface Area:161
Heavy Atom Count:27
Complexity:622
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
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