Compound Identification
SMILES
BrC1=CC=C(C=C1)C1=CC(NC(=S)N1)C1=CC=CS1
InChIKey
InChIKey=GZGSEKNGGIZYMB-UHFFFAOYSA-N
Formula
C14H11BrN2S2
Mass
351.28
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Pyrimidinethiones
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidinethiones
Alternative Parents
Bromobenzenes 2-Thiopyrimidines Hydropyrimidines Aryl bromides Thiophenes Heteroaromatic compounds Thioureas Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Heteroaromatic compound - Thiophene - Thiourea - Azacycle - Organobromide - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidinethiones. These are compounds containing a pyrimidine ring that bears a thioketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available