≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C(C(=C1)C(=O)N)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-] |
|---|---|
| IUPAC Name | N-(2-carbamoylphenyl)-5-nitro-1-benzothiophene-2-carboxamide |
| InChIKey | BTTXJIMSRRTAQM-UHFFFAOYSA-N |
| INCHI | 1S/C16H11N3O4S/c17-15(20)11-3-1-2-4-12(11)18-16(21)14-8-9-7-10(19(22)23)5-6-13(9)24-14/h1-8H,(H2,17,20)(H,18,21) |
| Molecular Weight | 341.300 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiophenes |
| Subclass | 1-benzothiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-benzothiophene-2-carboxanilides |
| Alternative Parents | Aromatic anilides Benzamides Thiophene carboxamides 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides Benzoyl derivatives Nitroaromatic compounds Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organic zwitterions Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-benzothiophene-2-carboxanilide - Aromatic anilide - Benzamide - Benzoic acid or derivatives - 2-heteroaryl carboxamide - Nitroaromatic compound - Benzoyl - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Vinylogous amide - Primary carboxylic acid amide - Organic nitro compound - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1-benzothiophene-2-carboxanilides. These are aromatic heteropolycyclic compounds that contain a 1-benzothiophene ring system, which is substituted with an anilide at the 2-position. |
| External Descriptors | Not available |
| Molecular Weight | 341.300 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 341.047 Da |
| Monoisotopic Mass | 341.047 Da |
| Topological Polar Surface Area | 146.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 524.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
