methyl 2-isothiocyanato-4-methylsulfanylbutanoate
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methyl 2-isothiocyanato-4-methylsulfanylbutanoate
structure -
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CAS No:
21055-47-0
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Formula:
C7H11NO2S2
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Chemical Name:
methyl 2-isothiocyanato-4-methylsulfanylbutanoate
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Synonyms:
21055-47-0;Methyl 2-isothiocyanato-4-(methylthio)butyrate;methyl N-(thioxomethylene)methioninate;methyl 2-isothiocyanato-4-methylsulfanylbutanoate;Methyl 2-isothiocyanato-4-(methylsulfanyl)butanoate;methyl N-(thioxomethylidene)methioninate;methyl 2-isothiocyanato-4-(methylthio)butanoate;DTXSID20943364;ALBB-014380;BBL028084;STK711162;AKOS001416939;AKOS016890723;MCULE-9447067731;VS-08661;methionine, N-carbonothioyl-, methyl ester;DB-045467;FT-0638080;Methyl N-(sulfanylidenemethylidene)methioninate;Methyl 2-isothiocyanato-4-(methylsulfanyl)butanoate #;2-Isothiocyanato-4-(methylthio)butanoic acid methyl ester
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CAS No:
Computed Properties
Molecular Weight:205.3
XLogP3:2.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:205.02312094
Monoisotopic Mass:205.02312094
Topological Polar Surface Area:96
Heavy Atom Count:12
Complexity:190
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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