≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C1C(C2=C(S1(=O)=O)C=C(C=C2)[N+](=O)[O-])SCC(=O)NN |
|---|---|
| IUPAC Name | 2-[(6-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]acetohydrazide |
| InChIKey | OAAWZHMRILBKGI-UHFFFAOYSA-N |
| INCHI | 1S/C10H11N3O5S2/c11-12-10(14)4-19-8-5-20(17,18)9-3-6(13(15)16)1-2-7(8)9/h1-3,8H,4-5,11H2,(H,12,14) |
| Isomeric SMILES | C1C(C2=C(S1(=O)=O)C=C(C=C2)[N+](=O)[O-])SCC(=O)NN |
| PubChem CID | 2822286 |
| Molecular Weight | 317.34 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic 1,3-dipolar compounds |
| Class | Allyl-type 1,3-dipolar organic compounds |
| Subclass | Organic nitro compounds |
| Intermediate Tree Nodes | C-nitro compounds |
| Direct Parent | Nitroaromatic compounds |
| Alternative Parents | Benzenoids Sulfones Carboxylic acid hydrazides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organoheterocyclic compounds Organic oxoazanium compounds Dialkylthioethers Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Nitroaromatic compound - Benzenoid - Sulfone - Carboxylic acid hydrazide - Carboxylic acid derivative - Organic oxoazanium - Thioether - Organoheterocyclic compound - Dialkylthioether - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carbonyl group - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group. |
| External Descriptors | Not available |
| Molecular Weight | 317.300 g/mol |
|---|---|
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 317.014 Da |
| Monoisotopic Mass | 317.014 Da |
| Topological Polar Surface Area | 169.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 498.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-[(6-nitro-1,1-dioxo-2,3-dihydro-1H-1-benzothiophen-3-yl)sulfanyl]acetohydrazide - ≥95% , CAS No.685120-05-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)