Compound Identification
SMILES
[O-]C(=O)C1=CC(SC(F)F)=CC=C1
InChIKey
InChIKey=PMMXGBDANHYUQG-UHFFFAOYSA-M
Formula
C8H5F2O2S
Mass
203.18
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Sulfanylbenzoic acids and derivatives
-
Level 6
M-sulfanylbenzoic acids and derivatives
- Level 7 M-sulfanylbenzoic acids
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Level 6
M-sulfanylbenzoic acids and derivatives
-
Level 5
Sulfanylbenzoic acids and 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
Sulfanylbenzoic acids and derivatives - M-sulfanylbenzoic acids and derivatives
Direct Parent
M-sulfanylbenzoic acids
Alternative Parents
Benzoic acids Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Carboxylic acid salts Sulfenyl compounds Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
M-sulfanylbenzoic acid - Benzoic acid - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Carboxylic acid salt - Carboxylic acid derivative - Sulfenyl compound - Thioether - Carboxylic acid - Alkyl fluoride - Alkyl halide - Organofluoride - Organohalogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic anion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 3, respectively.
External Descriptors
Not available