Simetryne - analytical standard, ≥97% , CAS No.1014-70-6

CAS: 1014-70-6 Cat. No.: S114865 Fórmula: C8H15N5S Peso molecular: 213.3 Beilstein Registry Number: 11728 Número CE: 213-801-7
Disponível para encomenda
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥97%
Synonyms
2,4-Bis(ethylamino)-6-(methylmercapto)-s-triazine | n2,n4-diethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine | 4,6-Bis(ethylamino)-2-methylthio-1,3,5-triazine | BS-42475 | G 32911 | 4,3,5-triazine | N,N'-diethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamin
Storage
Room temperature
Shipped In
Normal
★
Size
USA
Alemanha (EU)*
Price
Qty
100mg
S114865-100mg
3 Em stock
—

105,90US$

123,90US$
Gravar 18,00 US$ (14.53%)
Enter a quantity for the sizes you want to add.
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Why this grade

analytical standard, ≥97% Padrão analítico for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

Cited in 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
2,4-Bis(ethylamino)-6-(methylmercapto)-s-triazine | n2,n4-diethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine | 4,6-Bis(ethylamino)-2-methylthio-1,3,5-triazine | BS-42475 | G 32911 | 4,3,5-triazine | N,N'-diethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamin
Especificações e pureza
analytical standard, ≥97%
Condições de armazenamento de armazenamento
Room temperature
Enviado em
Normal
Grau
Padrão analítico
Pureza
≥97%
Nomes e identificadores
Pubchem Sid
Sorrisos canónicos
CCNC1=NC(=NC(=N1)SC)NCC
IUPAC Name
2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
InChIKey
MGLWZSOBALDPEK-UHFFFAOYSA-N
INCHI
1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)
SMILES isoméricas
CCNC1=NC(=NC(=N1)SC)NCC
WGK Alemanha
3
Peso molecular
213.3
Beilstein
11728
Reaxy-Rn
11728
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11728&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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseTriazines
Subclass1,3,5-triazines
Intermediate Tree Nodes Not available
Direct ParentMethylthio-s-triazines
Alternative Parents Alkyl-2-thio-S-triazines  Alkylarylthioethers  Heteroaromatic compounds  Sulfenyl compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Methylthio-s-triazine - Alkyl-2-thio-s-triazine - Aryl thioether - Alkylarylthioether - Heteroaromatic compound - Azacycle - Sulfenyl compound - Thioether - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as methylthio-s-triazines. These are aromatic compounds containing a 1,3,5-triazine ring that is substituted at the 2-position with a methylthio group.
External Descriptors Triazine herbicides
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AHR Tclin Aryl hydrocarbon receptor (1071 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Protoporphyrinogen IX oxidase (35 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
petD Cytochrome b6-f complex subunit 4 (179 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Poa annua (183 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Scenedesmus acutus (534 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
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 TypeDataItem
A2514380Certificate of AnalysisSep 22, 2026 S114865
F1305030Certificate of AnalysisOct 18, 2024 S114865
I2110498Certificate of AnalysisJun 12, 2023 S114865
Propriedades químicas e físicas
Ponto de fusão (°C)82-83°C
Peso molecular213.310 g/mol
XLogP32.500
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass213.105 Da
Monoisotopic Mass213.105 Da
Topological Polar Surface Area88.000 Ų
Heavy Atom Count14
Formal Charge0
Complexity143.000
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
FAQs e artigos
Citations of This Product
Calculadoras de soluções
Revisões

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