Compound Identification
SMILES
CC1=CC(C)=C(C=C1)C(C[N+]([O-])=O)SCCN
InChIKey
InChIKey=DIBDUZBGCPCTCY-UHFFFAOYSA-N
Formula
C12H18N2O2S
Mass
254.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Xylenes
Intermediate Tree Nodes
Not available
Direct Parent
m-Xylenes
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
M-xylene - C-nitro compound - Organic nitro compound - Organic oxoazanium - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkylthioether - Organic nitrogen compound - Organic zwitterion - Primary aliphatic amine - Primary amine - Amine - Organonitrogen compound - Organosulfur compound - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions.
External Descriptors
Not available