Compound Identification
SMILES
Cc1ccc(cc1)S(O)(=O)=O.CNC(=S)NCCSC(c1ccccc1)c1nc(C)ccc1N
InChIKey
InChIKey=XWJFDIROJZHRHM-UHFFFAOYSA-N
Formula
C24H30N4O3S3
Mass
518.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Methylbenzenesulfonates
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Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
p-Methylbenzenesulfonates
Alternative Parents
Tosyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Aminopyridines and derivatives Methylpyridines Sulfonyls Organosulfonic acids Heteroaromatic compounds Thioureas Sulfenyl compounds Azacyclic compounds Dialkylthioethers Organopnictogen compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Aminopyridine - Toluene - Methylpyridine - Pyridine - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Thiourea - Organoheterocyclic compound - Dialkylthioether - Azacycle - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Amine - Primary amine - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
External Descriptors
Not available