4-Methylthio-3-butenyl isothiocyanate
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4-Methylthio-3-butenyl isothiocyanate
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CAS No:
51598-96-0
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Formula:
C6H9NS2
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Chemical Name:
4-Methylthio-3-butenyl isothiocyanate
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Synonyms:
1-Butene,4-isothiocyanato-1-(methylthio)-;Isothiocyanic acid,4-(methylthio)-3-butenyl ester;4-Isothiocyanato-1-(methylthio)-1-butene;4-Methylthio-3-butenyl isothiocyanate;Dehydroerucin;Raphasatin
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CAS No:
Computed Properties
Molecular Weight:159.3
XLogP3:2.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:159.01764164
Monoisotopic Mass:159.01764164
Topological Polar Surface Area:69.8
Heavy Atom Count:9
Complexity:125
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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