Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CC(=O)SCCNCC(C)(C)S
InChIKey
InChIKey=AOPNXGXFBXNVRR-UHFFFAOYSA-N
Formula
C15H25NO4S3
Mass
379.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Thiocarboxylic acids and derivatives
- Subclass Thioesters
-
Class
Thiocarboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Thiocarboxylic acids and derivatives
Subclass
Thioesters
Intermediate Tree Nodes
Not available
Direct Parent
Thioesters
Alternative Parents
Carbothioic S-esters Amino acids and derivatives Sulfenyl compounds Dialkylamines Alkylthiols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Carbothioic s-ester - Thiocarboxylic acid ester - Amino acid or derivatives - Sulfenyl compound - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Alkylthiol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as thioesters. These are organic compounds containing an ester of thiocarboxylic acid, with the general structure RC(=S)XR' (R=H, alkyl, aryl; R'=alkyl, aryl; X=O,S).
External Descriptors
Not available