Compound Identification
SMILES
CCOC(=O)C(C#N)C1SCCCS1
InChIKey
InChIKey=XDQDDOYEGRRFFF-UHFFFAOYSA-N
Formula
C9H13NO2S2
Mass
231.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Dithianes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dithianes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Dithianes
Alternative Parents
Dithioacetals Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Dialkylthioethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
1,3-dithiane - Thioacetal - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Dialkylthioether - Thioether - Carbonitrile - Nitrile - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dithianes. These are compounds containing a dithiane moiety, which is composed of a cyclohexane core structure wherein two methylene units are replaced by sulfur centres.
External Descriptors
Not available