Compound Identification
SMILES
ClC1=CC=C(C=C1)C1NC(=S)N=C(C1=S)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=SZDQQZGSLBOBLQ-UHFFFAOYSA-N
Formula
C16H10Cl2N2S2
Mass
365.29
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
Chlorobenzenes 4-Thiopyrimidines Hydropyrimidines Aryl chlorides Thioketones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-thiopyrimidine - Thiopyrimidine - Chlorobenzene - Halobenzene - Pyrimidinethione - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - 1,2,5,6-tetrahydropyrimidine - Thioketone - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Thiocarbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen 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