Compound Identification
SMILES
CC(=O)C(O)(C1CCCC1)C1=CC=CS1
InChIKey
InChIKey=PGJGCNZFEFXEIZ-UHFFFAOYSA-N
Formula
C12H16O2S
Mass
224.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
- Level 5 Acyloins
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Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Not available
Direct Parent
Acyloins
Alternative Parents
Thiophenes Tertiary alcohols Heteroaromatic compounds Alpha-hydroxy ketones Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acyloin - Heteroaromatic compound - Thiophene - Tertiary alcohol - Alpha-hydroxy ketone - Ketone - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as acyloins. These are organic compounds containing an alpha hydroxy ketone. Acyloins are formally derived from reductive coupling of carboxylic acyl groups.
External Descriptors
Not available