Structure Information
Structure

Compound Identification

SMILES

CC1(C)OC[C@@H](O1)[C@H](Br)C(=O)SC1=CC=CC=C1

InChIKey

InChIKey=GOSVUDSYDWCHBJ-MNOVXSKESA-N

Formula

C13H15BrO3S

Mass

331.22

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Thiophenol esters

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Thiophenol esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Thiophenol ester - Aryl thioether - Ketal - Monocyclic benzene moiety - Meta-dioxolane - Thiocarboxylic acid ester - Carbothioic s-ester - Acetal - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Oxacycle - Sulfenyl compound - Organoheterocyclic compound - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organosulfur compound - Alkyl bromide - Hydrocarbon derivative - Alkyl halide - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as thiophenol esters. These are thioester derivatives of thiophenols. Thiophenol is a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.

External Descriptors

Not available

Previous Back Next