Compound Identification
SMILES
BrC1=CC=C(C=C1)C(=O)SC1=NC2=CC=CC=C2S1
InChIKey
InChIKey=BYGOBRIPUPSPSX-UHFFFAOYSA-N
Formula
C14H8BrNOS2
Mass
350.25
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
Thiobenzoic acids and derivatives Benzothiazoles Aryl thioethers Benzoyl derivatives Bromobenzenes Aryl bromides Thiazoles Heteroaromatic compounds Thioesters Carbothioic S-esters Sulfenyl compounds Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - 1,3-benzothiazole - Thiobenzoic acid or derivatives - Aryl thioether - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Azole - Heteroaromatic compound - Thiazole - Carbothioic s-ester - Thiocarboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available