2-({[2-(4-Ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)pyrimidine-4,6-diamine - ≥95% , CAS No.1209784-87-1

CAS: 1209784-87-1 Cat. No.: E1013302 Peso molecular: 389.49 Número EC: 996-286-8 PubChem CID: 38570018
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
E1013302-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
123,90US$
5mg
E1013302-5mg
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244,90US$
10mg
E1013302-10mg
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350,90US$
25mg
E1013302-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
556,90US$
50mg
E1013302-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
770,90US$
100mg
E1013302-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
1.023,90US$
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Tipo de acción
INHIBITOR
Pureza
≥95%
Nombres e identificadores
Sonrisas canónicasCCOC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=NC(=CC(=N3)N)N)OC
IUPAC Name2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
InChIKeyRCRHRBBNZAVXQG-UHFFFAOYSA-N
INCHI1S/C17H19N5O2S2/c1-3-24-12-5-4-10(6-13(12)23-2)16-20-11(8-25-16)9-26-17-21-14(18)7-15(19)22-17/h4-8H,3,9H2,1-2H3,(H4,18,19,21,22)
Isómeros SMILES CCOC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=NC(=CC(=N3)N)N)OC
PubChem CID 38570018
Peso molecular 389.49

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
SuperclassBenzenoids
ClasePhenol ethers
SubclassAnisoles
Intermediate Tree Nodes Not available
Direct ParentAnisoles
Alternative Parents Phenoxy compounds  Methoxybenzenes  Aminopyrimidines and derivatives  Alkylarylthioethers  Alkyl aryl ethers  2,4-disubstituted thiazoles  Imidolactams  Heteroaromatic compounds  Sulfenyl compounds  Azacyclic compounds  Primary amines  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Aminopyrimidine - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Heteroaromatic compound - Azole - Thiazole - Organoheterocyclic compound - Ether - Azacycle - Thioether - Sulfenyl compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular389.500 g/mol
XLogP32.900
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass389.098 Da
Monoisotopic Mass389.098 Da
Topological Polar Surface Area163.000 Ų
Heavy Atom Count26
Formal Charge0
Complexity426.000
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
Calculadoras de soluciones
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