Compound Identification
SMILES
[O-]C(=O)C1(F)C2C1C1(CCSS1)CC2=O
InChIKey
InChIKey=FIRGRYYOIMOPAY-UHFFFAOYSA-M
Formula
C9H8FO3S2
Mass
247.28
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
Cyclopropanecarboxylic acids Alpha-halocarboxylic acids 1,2-dithiolanes Organic disulfides Ketones Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic anions
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Lipoic_acid_derivative - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - 1,2-dithiolane - Carboxylic acid salt - Organic disulfide - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Alkyl halide - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic anion - Aliphatic heteropolycyclic 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