Compound Identification
SMILES
[O-][N+](=O)C1=C(CSC#N)C=CC(Cl)=C1
InChIKey
InChIKey=YEEKANGTDBHSKW-UHFFFAOYSA-N
Formula
C8H5ClN2O2S
Mass
228.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzyl thiocyanates
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzyl thiocyanates
Intermediate Tree Nodes
Not available
Direct Parent
Benzyl thiocyanates
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Chlorobenzenes Aryl chlorides Thiocyanates Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzyl thiocyanate - Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Thiocyanate - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organochloride - Organic nitrogen compound - Organohalogen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyl thiocyanates. These are aromatic compounds containing an thiocyanate group that is S-substituted to a benzyl group.
External Descriptors
Not available