≥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 | CCOC(=O)NC(=O)C1=C(SC=C1)NC(=O)C2=CC=C(S2)[N+](=O)[O-] |
|---|---|
| IUPAC Name | ethyl N-[2-[(5-nitrothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate |
| InChIKey | ISLJZDYAPAUORR-UHFFFAOYSA-N |
| INCHI | 1S/C13H11N3O6S2/c1-2-22-13(19)15-10(17)7-5-6-23-12(7)14-11(18)8-3-4-9(24-8)16(20)21/h3-6H,2H2,1H3,(H,14,18)(H,15,17,19) |
| Isomeric SMILES | CCOC(=O)NC(=O)C1=C(SC=C1)NC(=O)C2=CC=C(S2)[N+](=O)[O-] |
| PubChem CID | 3704668 |
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 | Thiophenes |
| Subclass | Nitrothiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-nitrothiophenes |
| Alternative Parents | Thiophene carboxamides 2-heteroaryl carboxamides Nitroaromatic compounds 2,5-disubstituted thiophenes Vinylogous amides Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic salts Organic oxides Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-nitrothiophene - 2-heteroaryl carboxamide - Thiophene carboxylic acid or derivatives - Nitroaromatic compound - Thiophene carboxamide - 2,5-disubstituted thiophene - Carbamic acid ester - Heteroaromatic compound - Vinylogous amide - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Carbonyl group - Organic nitrogen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-nitrothiophenes. These are aromatic heterocyclic compound containing a nitro group attached to a thiophene ring a the 2-position. |
| External Descriptors | Not available |
| Molecular Weight | 369.400 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 369.009 Da |
| Monoisotopic Mass | 369.009 Da |
| Topological Polar Surface Area | 187.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 526.000 |
| 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 |
