Compound Identification
SMILES
COC(=O)C(C)(Cl)CC1=CC=C(SC)C=C1
InChIKey
InChIKey=NMGRRBIDRFFACV-UHFFFAOYSA-N
Formula
C12H15ClO2S
Mass
258.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylpropanes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpropanes
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanes
Alternative Parents
Thiophenol ethers Fatty acid esters Alkylarylthioethers Methyl esters Alpha-halocarboxylic acid derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylpropane - Aryl thioether - Thiophenol ether - Alkylarylthioether - Fatty acid ester - Fatty acyl - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Organohalogen compound - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - Alkyl chloride - Carbonyl group - Organochloride - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors
Not available