Compound Identification
SMILES
CC(C)(C)C1CSC(SC1)C1=CC(O)=C(Br)C=C1[N+]#N
InChIKey
InChIKey=QJEBEYXPUABAPU-UHFFFAOYSA-O
Formula
C14H18BrN2OS2
Mass
374.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Halophenols
-
Level 5
Bromophenols
- Level 6 O-bromophenols
-
Level 5
Bromophenols
-
Subclass
Halophenols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Halophenols
Intermediate Tree Nodes
Bromophenols
Direct Parent
O-bromophenols
Alternative Parents
Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Dithianes Aryl bromides Dithioacetals Organic diazonium salts Dialkylthioethers Organooxygen compounds Organobromides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,3-dithiane - Thioacetal - Organic diazonium salt - Organoheterocyclic compound - Dialkylthioether - Thioether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organohalogen compound - Organobromide - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-bromophenols. These are bromophenols carrying a iodine at the C2 position of the benzene ring.
External Descriptors
Not available