Compound Identification
SMILES
CC1=C(C=C(C=C1)S(F)(F)(F)(F)F)C(=O)N=C(N)N
InChIKey
InChIKey=OXVOVRFPYLOTEV-UHFFFAOYSA-N
Formula
C9H10F5N3OS
Mass
303.25
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives
Direct Parent
M-sulfanylbenzoic acids and derivatives
Alternative Parents
o-Toluamides Benzoyl derivatives Acylguanidines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Carboximidamides Organosulfur compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
M-sulfanylbenzoic acid or derivatives - O-toluamide - Toluamide - Benzoyl - Acylguanidine - Toluene - Guanidine - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid derivative - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 3, respectively.
External Descriptors
Not available