Determine the necessary mass, volume, or concentration for preparing a solution.
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analytical standard Analytical standard 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504752906 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752906 |
| Sonrisas canónicas | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N |
| IUPAC Name | 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile |
| InChIKey | PYZSVQVRHDXQSL-UHFFFAOYSA-N |
| INCHI | 1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H |
| Isómeros SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N |
| WGK Alemania | 3 |
| RTECS | QL0700000 |
| Número ONU | 3077 |
| Peso molecular | 296.32 |
| Beilstein | 1325563 |
| Reaxy-Rn | 1325563 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1325563&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 | Benzenoids |
| Clase | Naphthalenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthalenes |
| Alternative Parents | 1,4-benzodithiins Heteroaromatic compounds Nitriles Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthalene - Benzodithiin - 1,4-benzodithiin - Heteroaromatic compound - Organoheterocyclic compound - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. |
| External Descriptors | Quinone fungicides |
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| Punto de fusión (°C) | 225°C |
|---|---|
| Peso molecular | 296.300 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Exact Mass | 295.971 Da |
| Monoisotopic Mass | 295.971 Da |
| Topological Polar Surface Area | 132.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 628.000 |
| 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 |
| 1. Kaiyi Zheng, Ye Shen, Zhiyang Chen, Lina Zhao, Zhihua Li, Xiaowei Huang, Jiyong Shi, Yang Zhang, Xuechao Xu, Zitao Zhu, Zhaoqiong Jiang, Meng Zhang, Xiaobo Zou. (2024) Bimetallic AuNR@AgNCs for ultrasensitive surface-enhanced Raman scattering sensing of dithianon in apple juice. ANALYTICA CHIMICA ACTA, [PMID:38309856] [10.1016/j.aca.2023.342199] |
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