Compound Identification
SMILES
CS(=O)(=O)NN1C(=O)C2=C(C=CS2)N=C1SC1=CC=CC=C1C(O)=O
InChIKey
InChIKey=KFXZAFLNXDZMCR-UHFFFAOYSA-N
Formula
C14H11N3O5S3
Mass
397.44
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Benzoic acids
- Level 6 2-pyrimidinylthiobenzoic acids
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Level 5
Benzoic acids
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzoic acids
Direct Parent
2-pyrimidinylthiobenzoic acids
Alternative Parents
Diarylthioethers O-sulfanylbenzoic acids Thienopyrimidines Thiophenol ethers Benzoyl derivatives Pyrimidones Vinylogous thioesters Sulfonohydrazides Hydrazinosulfonyl compounds Thiophenes Heteroaromatic compounds Lactams Azacyclic compounds Sulfenyl compounds Carboxylic acids Monocarboxylic acids and derivatives Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-pyrimidinylthiobenzoic acid - Diarylthioether - O-sulfanylbenzoic acid - O-sulfanylbenzoic acid or derivatives - Thienopyrimidine - Benzoyl - Aryl thioether - Thiophenol ether - Pyrimidone - Pyrimidine - Sulfonohydrazide - Hydrazinosulfonyl compound - Vinylogous thioester - Heteroaromatic compound - Thiophene - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Lactam - Carboxylic acid derivative - Thioether - Carboxylic acid - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-pyrimidinylthiobenzoic acids. These are benzoic acids that carry a 2-thiopyrimidine at the 2-position of the benzene ring.
External Descriptors
Not available