Thiophanate-methyl - analytical standard , CAS No.23564-05-8

Name: Thiophanate-methyl - analytical standard , CAS No.23564-05-8
SKU: T109974
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CAS: 23564-05-8 Cat. No.: T109974 Summenformel: C₁₂H₁₄N₄O₄S₂ Molekulargewicht: 342.39 Beilstein Registry Number: 937942 EG-Nummer: 245-740-7 PubChem CID: 3032791

19 Citations COA

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GRADE & PURITY Analytical standard ?

Synonyms

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Specifications Namen und Kennungen Documentation Advanced Data Taxonomic Classification 3D-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Citations of This Product Lösungsrechner Bewertungen Häufig gestellte Fragen

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Why this grade

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

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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 19 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyme

Spezifikationen & Reinheit

analytical standard

Storage

Room temperature

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Note

Analytischer Standard

Aktionsart

INHIBITOR

Namen und Kennungen

Pubchem Sid

504762340

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762340

Kanonisches Lächeln

COC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OC

IUPAC Name

methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate

InChIKey

QGHREAKMXXNCOA-UHFFFAOYSA-N

INCHI

1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)

Isomere SMILES

COC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OC

WGK Deutschland

RTECS

BA3675000

PubChem CID

3032791

Molekulargewicht

342.39

Beilstein

937942

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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📊 Datasheet

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🔬 Specification Sheet

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Klasse Benzene and substituted derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Klasse	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Propargyl-type 1,3-dipolar organic compounds Organosulfur compounds Organopnictogen compounds Organooxygen compounds Imines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Imine - Aromatic homomonocyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors	Carbamate fungicides
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D-Struktur

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PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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Lymphoblastoid cell (5959 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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GMNN Tbio Geminin (128009 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Faah Anandamide amidohydrolase (3907 Activities)

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Oculimacula yallundae (312 Activities)

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Thanatephorus cucumeris (609 Activities)

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Cercospora beticola (433 Activities)

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Fusarium oxysporum (3998 Activities)

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Botrytis cinerea (4183 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Colletotrichum fragariae (147 Activities)

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Rhizoctonia solani (2251 Activities)

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Sclerotinia sclerotiorum (877 Activities)

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Corynespora cassiicola (104 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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Neofusicoccum australe (78 Activities)

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Podosphaera fusca (19 Activities)

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Curvularia pallescens (106 Activities)

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Diplodia mutila (102 Activities)

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Neofusicoccum luteum (172 Activities)

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Pseudomonas amygdali pv. lachrymans (49 Activities)

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Cucurbita maxima x Cucurbita moschata (14 Activities)

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Monilinia laxa (436 Activities)

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Podosphaera xanthii (125 Activities)

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Pseudoperonospora cubensis (1623 Activities)

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Lagenaria siceraria (14 Activities)

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Podosphaera fuliginea (1057 Activities)

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Pseudopestalotiopsis theae (13 Activities)

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Mycogone perniciosa (4 Activities)

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Diaporthe ampelina (88 Activities)

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Ascochyta (23 Activities)

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Clonostachys rosea (54 Activities)

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Plurivorosphaerella nawae (18 Activities)

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Colletotrichum falcatum (178 Activities)

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Wirkungsmechanismen

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

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 Number	Certificate Type	Datum	Artikel
L2308515	Certificate of Analysis	Sep 08, 2025	T109974
L2308524	Certificate of Analysis	Sep 08, 2025	T109974
J1916039	Certificate of Analysis	May 08, 2023	T109974

Chemische und physikalische Eigenschaften

Löslichkeit	Insoluble in water, soluble in methanol, ethanol, acetone, chloroform, etc.
Schmelzpunkt (°C)	181.5-182.5°C
Molekulargewicht	342.400 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	342.046 Da
Monoisotopic Mass	342.046 Da
Topological Polar Surface Area	165.000 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	407.000
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

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How should this product be stored?

Store at room temperature.

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This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 23564-05-8, the molecular formula is C12H14N4O4S2, and the molecular weight is 342.39 g/mol. InChIKey QGHREAKMXXNCOA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

📚 Citations by Application

Spectroscopy sample preparation4

Other applications10

Electrochemistry & battery electrolyte2

Organic synthesis — reaction medium5

Extraction & workup solvent6

Drug / compound screening3

Cytotoxicity screening1

Chromatography (HPLC / GC / TLC)3

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Thiophanate-methyl - analytical standard , CAS No.23564-05-8

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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