Compound Identification
SMILES
CC(S)C(O)=O.CC(S)C(O)=O.OC(=O)CCS
InChIKey
InChIKey=DJSGAAWCZZOVBF-UHFFFAOYSA-N
Formula
C9H18O6S3
Mass
318.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Carboxylic acids
- Level 5 alpha-Mercaptocarboxylic acids
-
Subclass
Carboxylic acids
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acids
Intermediate Tree Nodes
Not available
Direct Parent
alpha-Mercaptocarboxylic acids
Alternative Parents
Monocarboxylic acids and derivatives Alkylthiols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
2-mercaptocarboxylic acid - Monocarboxylic acid or derivatives - Alkylthiol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as alpha-mercaptocarboxylic acids. These are carboxylic acids that bear a thiol group at the C-2 position. Alpha-mercaptocarboxylic acids have the general formula RC(S)C(=O)O, where R = H, organyl group.
External Descriptors
Not available