CHEBI:87679 - 3-[(2-hydroxyethyl)thio]-1-propanol

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ChEBI Name 3-[(2-hydroxyethyl)thio]-1-propanol
ChEBI ID CHEBI:87679
Definition An aliphatic sulfide that is propan-1-ol substituted by a (2-hydroxyethyl)thio group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C5H12O2S
Net Charge 0
Average Mass 136.214
Monoisotopic Mass 136.05580
InChI InChI=1S/C5H12O2S/c6-2-1-4-8-5-3-7/h6-7H,1-5H2
InChIKey YJGRQEWXDDCCCV-UHFFFAOYSA-N
SMILES C(CCO)SCCO
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 3-[(2-hydroxyethyl)thio]-1-propanol (CHEBI:87679) has role metabolite (CHEBI:25212)
3-[(2-hydroxyethyl)thio]-1-propanol (CHEBI:87679) is a aliphatic sulfide (CHEBI:22327)
3-[(2-hydroxyethyl)thio]-1-propanol (CHEBI:87679) is a diol (CHEBI:23824)
IUPAC Name
3-[(2-hydroxyethyl)sulfanyl]propan-1-ol
Registry Number Type Source
1734411 Reaxys Registry Number Reaxys
Last Modified
27 August 2015