Structure Information
Structure

Compound Identification

SMILES

CCOP(=S)(OCC)OC1=NN2C(N=C(C)C=C2C)=C1Br

InChIKey

InChIKey=ZWNODERPISFVAD-UHFFFAOYSA-N

Formula

C12H17BrN3O3PS

Mass

394.22

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Organic thiophosphoric acids and derivatives

Subclass

Thiophosphoric acid esters

Intermediate Tree Nodes

Not available

Direct Parent

Aryl thiophosphates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aryl thiophosphate - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Thiophosphate triester - Aryl bromide - Aryl halide - Pyrimidine - Azole - Pyrazole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as aryl thiophosphates. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where at least one R-group is an aryl group.

External Descriptors

Not available

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