≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged 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 | C1CC(=O)N(C1=O)OC(=O)C2=C(C=CC(=C2)SSC3=CC(=C(C=C3)[N+](=O)[O-])C(=O)ON4C(=O)CCC4=O)[N+](=O)[O-] |
|---|---|
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 5-[[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-4-nitrophenyl]disulfanyl]-2-nitrobenzoate |
| InChIKey | WQAKOGSBRWFFLW-UHFFFAOYSA-N |
| INCHI | 1S/C22H14N4O12S2/c27-17-5-6-18(28)23(17)37-21(31)13-9-11(1-3-15(13)25(33)34)39-40-12-2-4-16(26(35)36)14(10-12)22(32)38-24-19(29)7-8-20(24)30/h1-4,9-10H,5-8H2 |
| Isomeric SMILES | C1CC(=O)N(C1=O)OC(=O)C2=C(C=CC(=C2)SSC3=CC(=C(C=C3)[N+](=O)[O-])C(=O)ON4C(=O)CCC4=O)[N+](=O)[O-] |
| Molecular Weight | 590.50 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzoic acids and derivatives |
| Alternative Parents | M-sulfanylbenzoic acids and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Pyrrolidine-2-ones Dicarboximides Organic disulfides Lactams Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitrobenzoate - M-sulfanylbenzoic acid or derivatives - Nitrobenzene - Benzoyl - Nitroaromatic compound - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Organic nitro compound - Lactam - C-nitro compound - Organic disulfide - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboxylic acid derivative - Organic oxoazanium - Organic salt - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 590.500 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 9 |
| Exact Mass | 590.005 Da |
| Monoisotopic Mass | 590.005 Da |
| Topological Polar Surface Area | 270.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 1010.000 |
| 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 |
![3,3'-Dithiobis[6-nitrobenzoic acid] bis(succinimide) ester - ≥95% CAS No(60129-38-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/9/D991817.jpg)