3-(2-hydroxyethylsulfanyl)propan-1-ol
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3-(2-hydroxyethylsulfanyl)propan-1-ol
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CAS No:
5323-60-4
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Formula:
C5H12O2S
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Chemical Name:
3-(2-hydroxyethylsulfanyl)propan-1-ol
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Synonyms:
3-[(2-HYDROXYETHYL)THIO]-1-PROPANOL;NSC2787;3-[(2-hydroxyethyl)sulfanyl]propan-1-ol;5323-60-4;3-((2-hydroxyethyl)thio)-1-propanol;2-Ethanol 3-propanol sulfide;CHEBI:87679;NSC-2787;1-Propanol, 3-[(2-hydroxyethyl)thio]-;3-(2-hydroxyethylsulfanyl)propan-1-ol;3-((2-hydroxyethyl)thio)propan-1-ol;NCIStruc1_001750;NCIStruc2_000255;SCHEMBL6013179;CHEMBL1741874;DTXSID90277542;NCI2787;ZINC1641148;3-(2-Hydroxyethylthio)propan-1-ol;CCG-37636;NCGC00013024;AKOS008068324;2-Hydroxyethyl 3-hydroxypropyl sulfide;MCULE-8761848224;NE28235;NCGC00013024-02;NCGC00096151-01;NCI60_002269;3-[(2-Hydroxyethyl)sulfanyl]-1-propanol;EN300-73182;Q27159824
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CAS No:
Description
3-[(2-hydroxyethyl)thio]-1-propanol is an aliphatic sulfide that is propan-1-ol substituted by a (2-hydroxyethyl)thio group at position 3. It has a role as a metabolite. It is an aliphatic sulfide and a diol.
3-(2-hydroxyethylsulfanyl)propan-1-ol Basic Attributes
136.21 g/mol
136.05580079 g/mol
2787
DTXSID90277542
Computed Properties
Molecular Weight:136.21
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:136.05580079
Monoisotopic Mass:136.05580079
Topological Polar Surface Area:65.8
Heavy Atom Count:8
Complexity:41.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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