Compound Identification
SMILES
CC1=CC=C(C=C1)C(C[N+]([O-])=O)SCCN
InChIKey
InChIKey=FQRGMDCQAKHQDH-UHFFFAOYSA-N
Formula
C11H16N2O2S
Mass
240.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Toluenes
Alternative Parents
C-nitro compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkylthioethers Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Toluene - C-nitro compound - Organic nitro compound - Organic oxoazanium - Thioether - Sulfenyl compound - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Primary amine - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Primary aliphatic amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
External Descriptors
Not available