Compound Identification
SMILES
O=C(CCCCC1CCSS1)ON1C(=O)C=CC1=O
InChIKey
InChIKey=HQTHLZYVGIMMHJ-UHFFFAOYSA-N
Formula
C12H15NO4S2
Mass
301.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dithiolanes
- Subclass Lipoic acids and derivatives
-
Class
Dithiolanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dithiolanes
Subclass
Lipoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Lipoic acids and derivatives
Alternative Parents
Maleimides Pyrrolines Dicarboximides 1,2-dithiolanes Organic disulfides Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Lipoic_acid_derivative - Maleimide - Dicarboximide - Pyrroline - 1,2-dithiolane - Organic disulfide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as lipoic acids and derivatives. These are compounds containing a lipoic acid moiety (or a derivative thereof), which consists of a pentanoic acid (or derivative) attached to the C3 carbon atom of a 1,2-dithiolane ring.
External Descriptors
Not available