3-sulfanylpentan-1-ol
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3-sulfanylpentan-1-ol
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CAS No:
548740-99-4
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Formula:
C5H12OS
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Chemical Name:
3-sulfanylpentan-1-ol
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Synonyms:
3-sulfanylpentan-1-ol;3-mercaptopentanol;3-mercaptopentan-1-ol;548740-99-4;1-Pentanol, 3-mercapto-;3-Mercapto-1-pentanol;3-sulfanyl-1-pentanol;3-mercaptopentane-1-ol;3-Ethyl mercapto propanol;Fema No. 4792;SCHEMBL333125;DTXSID30333070;CHEBI:156144;MFCD29991181
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CAS No:
Description
3-mercaptopentanol is an alkanethiol that is pentane substituted at positions 1 and 3 by hydroxy and sulfanyl groups respectively. It has a role as a plant metabolite, a flavouring agent and a human metabolite. It is an alkanethiol and a primary alcohol. It derives from a hydride of a pentane.
Computed Properties
Molecular Weight:120.22
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:120.06088618
Monoisotopic Mass:120.06088618
Topological Polar Surface Area:21.2
Heavy Atom Count:7
Complexity:39.1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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