Compound Identification
SMILES
COC(=O)C1=C(C)S(=O)OC1
InChIKey
InChIKey=PHYNJNOYRHTXPK-UHFFFAOYSA-N
Formula
C6H8O4S
Mass
176.19
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Oxathioles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxathioles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxathioles
Alternative Parents
Methyl esters Enoate esters Sulfinic acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - 1,2-oxathiole - Sulfinic acid derivative - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as oxathioles. These are organic heterocyclic compounds containing a saturated five-membered ring with three carbon atoms, one oxygen atom, one sulfur atom, and one double bond.
External Descriptors
Not available