Compound Identification
SMILES
OC1=CC=CC=C1C1=CC(NC(=S)N1)C1=CC(O)=C(O)C=C1
InChIKey
InChIKey=KXMZAEDXSXNSQL-UHFFFAOYSA-N
Formula
C16H14N2O3S
Mass
314.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Benzenediols
- Level 5 Catechols
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Subclass
Benzenediols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Benzenediols
Intermediate Tree Nodes
Not available
Direct Parent
Catechols
Alternative Parents
Pyrimidinethiones 2-Thiopyrimidines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydropyrimidines Benzene and substituted derivatives Thioureas Azacyclic compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Catechol - 2-thiopyrimidine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Thiopyrimidine - Pyrimidinethione - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - 1,2,3,4-tetrahydropyrimidine - Thiourea - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.
External Descriptors
Not available