3-(Butylthio)-1,2-propanediol
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3-(Butylthio)-1,2-propanediol
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CAS No:
85099-04-3
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Formula:
C7H16O2S
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Chemical Name:
3-(Butylthio)-1,2-propanediol
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Synonyms:
1,2-Propanediol,3-(butylthio)-;3-(Butylthio)-1,2-propanediol;3-Butylsulfanyl-propane-1,2-diol
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CAS No:
Computed Properties
Molecular Weight:164.27
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:164.08710092
Monoisotopic Mass:164.08710092
Topological Polar Surface Area:65.8
Heavy Atom Count:10
Complexity:68.6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes