Compound Identification
SMILES
CC(=O)C1=CC(=C(I)S1)[N+]([O-])=O
InChIKey
InChIKey=NJNNJEAOUONWGX-UHFFFAOYSA-N
Formula
C6H4INO3S
Mass
297.07
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiophenes
-
Subclass
Nitrothiophenes
-
Level 5
Nitrohalothiophenes
- Level 6 3-nitrohalothiophenes
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Level 5
Nitrohalothiophenes
-
Subclass
Nitrothiophenes
-
Class
Thiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiophenes
Subclass
Nitrothiophenes
Intermediate Tree Nodes
Nitrohalothiophenes
Direct Parent
3-nitrohalothiophenes
Alternative Parents
3-nitrothiophenes Nitroaromatic compounds Aryl alkyl ketones 2,3,5-trisubstituted thiophenes Alpha-branched alpha,beta-unsaturated ketones Heteroaromatic compounds Enones Acryloyl compounds Thioenol ethers Vinyl iodides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Iodoalkenes Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-nitrohalothiophene - 3-nitrothiophene - Nitroaromatic compound - Aryl alkyl ketone - Aryl ketone - 2,3,5-trisubstituted thiophene - Alpha-branched alpha,beta-unsaturated-ketone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Organic nitro compound - Thioenolether - C-nitro compound - Ketone - Iodoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Vinyl iodide - Vinyl halide - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organic hyponitrite - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-nitrohalothiophenes. These are aromatic heterocyclic compound containing a thiophene ring that carries a nitro group attached at the 3-position, as well as an halogen atom.
External Descriptors
Not available