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Basic Description
| Synonyms | 5,10-DIHYDRO-5,10-DIOXONAPHTHO(2,3-B)-1,4-DITHIINE-2,3-DICARBONITRILE | GLXC-25869 | 2,4-dithioanthrachinon | CADOL | EPA Pesticide Chemical Code 099201 | IT-931 | Thynon | 2,3-Dinitrilo-1,4-dithioanthrachinon [German] | 5,10-dihydro-5,10-dioxonaphtho[2,3 |
|---|---|
| Specifications & Purity | analytical standard |
| Shipped In | Normal |
| Grade | analytical standard |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
- Class Naphthalenes
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | 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 |
| Description | 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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Associated Targets(non-human)
Colletotrichum coccodes (59 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Neofusicoccum australe (78 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Diplodia mutila (102 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 504752906 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752906 |
| IUPAC Name | 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile |
| INCHI | 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 |
| InChIKey | PYZSVQVRHDXQSL-UHFFFAOYSA-N |
| Smiles | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N |
| WGK Germany | 3 |
| RTECS | QL0700000 |
| UN Number | 3077 |
| Molecular Weight | 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= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2429258 |
Certificate of Analysis | Jan 19, 2024 | D114579 |
| A2429260 |
Certificate of Analysis | Jan 19, 2024 | D114579 |
| E1610155 |
Certificate of Analysis | Aug 03, 2023 | D114579 |
Chemical and Physical Properties
| Melt Point(°C) | 225°C |
|---|---|
| Molecular Weight | 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 |
Citations of This Product
| 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, 1292 (342199). |
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