≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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)C2=CC=C(O2)/C=C\3/C(=O)N=C(S3)N)[N+](=O)[O-] |
|---|---|
| IUPAC Name | (5Z)-2-amino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one |
| InChIKey | CZZAPCPWFCGOCC-GHXNOFRVSA-N |
| INCHI | 1S/C14H9N3O4S/c15-14-16-13(18)12(22-14)7-8-5-6-11(21-8)9-3-1-2-4-10(9)17(19)20/h1-7H,(H2,15,16,18)/b12-7- |
| Molecular Weight | 315.31 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Nitroaromatic compounds Thiazolines Furans Heteroaromatic compounds Isothioureas N-acylimines Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Carboximidamides Organic oxoazanium compounds Organic oxides Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic zwitterions |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - Furan - Meta-thiazoline - Heteroaromatic compound - Isothiourea - C-nitro compound - N-acylimine - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Oxacycle - Carboximidamide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. |
| External Descriptors | Not available |
| Molecular Weight | 315.310 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 315.031 Da |
| Monoisotopic Mass | 315.031 Da |
| Topological Polar Surface Area | 140.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 543.000 |
| 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 |
![(5Z)-2-imino-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazolidin-4-one - ≥98% , CAS No.1227681](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)