Compound Identification
SMILES
[1H][13C]([1H])(C)SC1=C(OC)C=CC(=C1)C(C)C
InChIKey
InChIKey=RINQIDCIFFWMQG-UNNXKJJISA-N
Formula
C12H18OS
Mass
211.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Cumenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Cumenes
Intermediate Tree Nodes
Not available
Direct Parent
Cumenes
Alternative Parents
Phenylpropanes Thiophenol ethers Phenoxy compounds Methoxybenzenes Anisoles Alkylarylthioethers Alkyl aryl ethers Sulfenyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cumene - Phenylpropane - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Thiophenol ether - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Sulfenyl compound - Ether - Thioether - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
External Descriptors
Not available