Dithianon - analytical standard , CAS No.3347-22-6

CAS: 3347-22-6 Cat. No.: D114579 Molecular Weight: 296.32 Beilstein Registry Number: 1325563 EC Number: 222-098-6
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
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
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
D114579-250mg
3

$194.90

$273.90
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Why this grade

analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

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
Storage
Room temperature
Shipped In
Normal
Grade
Analytical standard
Names and Identifiers
Pubchem Sid504752906
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504752906
Canonical SmilesC1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N
IUPAC Name5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile
InChIKeyPYZSVQVRHDXQSL-UHFFFAOYSA-N
INCHI1S/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
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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassNaphthalenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentNaphthalenes
Alternative Parents 1,4-benzodithiins  Heteroaromatic compounds  Nitriles  Organopnictogen compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Colletotrichum coccodes (59 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Neofusicoccum australe (78 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Diplodia mutila (102 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
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.

3 results found

Lot NumberCertificate TypeDateItem
A2429258Certificate of AnalysisOct 29, 2025 D114579
A2429260Certificate of AnalysisOct 29, 2025 D114579
E1610155Certificate of AnalysisAug 03, 2023 D114579
Chemical and Physical Properties
Melt Point(°C)225°C
Molecular Weight296.300 g/mol
XLogP32.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass295.971 Da
Monoisotopic Mass295.971 Da
Topological Polar Surface Area132.000 Ų
Heavy Atom Count20
Formal Charge0
Complexity628.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
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]
Solution Calculators
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