3-Buten-2-one, 4-(methylthio)-, (Z)- (8CI,9CI)
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3-Buten-2-one, 4-(methylthio)-, (Z)- (8CI,9CI)
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CAS No:
33944-93-3
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Formula:
C5H8OS
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Chemical Name:
3-Buten-2-one, 4-(methylthio)-, (Z)- (8CI,9CI)
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Synonyms:
SCHEMBL13902816;(Z)-4-methylsulfanyl-3-buten-2-one
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CAS No:
Computed Properties
Molecular Weight:116.18
XLogP3:0.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:116.02958605
Monoisotopic Mass:116.02958605
Topological Polar Surface Area:42.4
Heavy Atom Count:7
Complexity:86.1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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