Structure Information
Structure

Compound Identification

SMILES

CCS(=O)(=O)CCOP(=S)(OC)OC.COP(=S)(OC)SCN1N=NC2=CC=CC=C2C1=O

InChIKey

InChIKey=JLHMQJDKLMWTGY-UHFFFAOYSA-N

Formula

C16H27N3O8P2S4

Mass

579.59

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzo-1,2,3-triazines

Subclass

Benzotriazine organothiophosphates

Intermediate Tree Nodes

Not available

Direct Parent

Benzotriazine organothiophosphates

Alternative Parents

Molecular Framework

Not available

Substituents

Benzotriazine organothiophosphate - Thiophosphate triester - Triazinone - Thiophosphoric acid ester - Triazine - Dithiophosphate o-ester - Dithiophosphate s-ester - Organic thiophosphoric acid or derivatives - 1,2,3-triazine - Benzenoid - Sulfone - Sulfonyl - Organic dithiophosphate - Heteroaromatic compound - Lactam - Sulfenyl compound - Organothiophosphorus compound - Azacycle - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzotriazine organothiophosphates. These are aromatic compounds containing a benzo-1,2,3-triazine, which is substituted by an organothiophosphate group at the 3-position. Their general structure is R-CSP(=S)(OR')OR'', where R=benzo-1,2,3-triazine, R',R\" = any atom.

External Descriptors

Not available

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