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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Thiophenol esters
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Thiophenol esters
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thiophenol esters
Alternative Parents
Aryl thioethers Ketals Benzene and substituted derivatives 1,3-dioxolanes Thioesters Carbothioic S-esters Sulfenyl compounds Oxacyclic compounds Carboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
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