(1S,2S,3S,6R)-3-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]-7-oxabicyclo[4.1.0]hept-4-en-2-ol
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![(1S,2S,3S,6R)-3-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]-7-oxabicyclo[4.1.0]hept-4-en-2-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c2756bc48c164e1282b4adbe2318e25e.png "(1S,2S,3S,6R)-3-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]-7-oxabicyclo[4.1.0]hept-4-en-2-ol")
(1S,2S,3S,6R)-3-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]-7-oxabicyclo[4.1.0]hept-4-en-2-ol
structure -
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CAS No:
136353-70-3
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Formula:
C10H14N2O2S
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Chemical Name:
(1S,2S,3S,6R)-3-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]-7-oxabicyclo[4.1.0]hept-4-en-2-ol
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Synonyms:
2-(3-azibutylthio)-5,6-epoxy-3-cyclohexen-1-ol;2-ATECO;2-Ateco;136353-70-3;2-(3-Azibutylthio)-5,6-epoxy-3-cyclohexen-1-ol;DTXSID50929338;3-{[2-(3-Methyl-3H-diaziren-3-yl)ethyl]sulfanyl}-7-oxabicyclo[4.1.0]hept-4-en-2-ol;(1S,2S,3S,6R)-3-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]-7-oxabicyclo[4.1.0]hept-4-en-2-ol;7-Oxabicyclo(4.1.0)hept-4-en-2-ol, 3-((2-(3-methyl-3H-diazirin-3-yl)ethyl)thio)-, (1alpha,2alpha,3beta,6alpha)- (+-)-
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CAS No:
(1S,2S,3S,6R)-3-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]-7-oxabicyclo[4.1.0]hept-4-en-2-ol Basic Attributes
226.30 g/mol
226.07759887 g/mol
Computed Properties
Molecular Weight:226.30
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:226.07759887
Monoisotopic Mass:226.07759887
Topological Polar Surface Area:82.8
Heavy Atom Count:15
Complexity:325
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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