Compound Identification
SMILES
NCCO.OC(=O)CS
InChIKey
InChIKey=XTJCJAPNPGGFED-UHFFFAOYSA-N
Formula
C4H11NO3S
Mass
153.2
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
1,2-aminoalcohols Monocarboxylic acids and derivatives Alkylthiols Primary alcohols Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
2-mercaptocarboxylic acid - 1,2-aminoalcohol - Alkanolamine - Alkylthiol - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Carbonyl group - Amine - Organopnictogen compound - Organic oxygen compound - Alcohol - 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