10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
| Sonrisas canónicas | COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])SC2=S |
|---|---|
| IUPAC Name | (5E)-3-(4-methoxyphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| InChIKey | SPYIETQLOVDJCF-XYOKQWHBSA-N |
| INCHI | 1S/C15H10N2O4S3/c1-21-10-4-2-9(3-5-10)16-14(18)12(24-15(16)22)8-11-6-7-13(23-11)17(19)20/h2-8H,1H3/b12-8+ |
| Isómeros SMILES | COC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(S3)[N+](=O)[O-])/SC2=S |
| Peso molecular | 378.45 |
| Reaxy-Rn | 28166090 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28166090&ln= |
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 |
| Clase | Thiophenes |
| Subclass | Nitrothiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-nitrothiophenes |
| Alternative Parents | Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes 2,5-disubstituted thiophenes Alkyl aryl ethers Thiazolidinethiones Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Organosulfur compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-nitrothiophene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - 2,5-disubstituted thiophene - Monocyclic benzene moiety - Thiazolidinethione - Benzenoid - Thiazolidine - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | 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 |
| Sensibilidad | light sensitive |
|---|---|
| Peso molecular | 378.500 g/mol |
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 377.98 Da |
| Monoisotopic Mass | 377.98 Da |
| Topological Polar Surface Area | 161.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 570.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
