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Mls002639316 - ≥95% , CAS No.57332-78-2

Mls002639316 - ≥95% , CAS No.57332-78-2

Name: Mls002639316 - ≥95% , CAS No.57332-78-2
SKU: M1347942
Availability: InStock

CAS: 57332-78-2 Cat. No.: M1347942 PubChem CID: 3824588

COA

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Disponible para pedir

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

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Why this grade

≥95% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Sonrisas canónicas

CCOC(=O)C1=C(NC(=S)N1)C

IUPAC Name

ethyl 5-methyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate

InChIKey

XOBQIIBCIWMREU-UHFFFAOYSA-N

INCHI

1S/C7H10N2O2S/c1-3-11-6(10)5-4(2)8-7(12)9-5/h3H2,1-2H3,(H2,8,9,12)

Isómeros SMILES

CCOC(=O)C1=C(NC(=S)N1)C

CAS alternativo

57332-78-2

PubChem CID

3824588

Número NSC

30237

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Clase Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 Carbonylimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles
Direct Parent	Carbonylimidazoles
Alternative Parents	Imidazolethiones Vinylogous amides Heteroaromatic compounds Thioureas Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Imidazole-4-carbonyl group - Imidazole-2-thione - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Thiourea - Carboxylic acid derivative - Azacycle - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as carbonylimidazoles. These are substituted imidazoles in which the imidazole ring bears a carbonyl group.
External Descriptors	Not available
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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propiedades químicas y físicas

Peso molecular	186.230 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	186.046 Da
Monoisotopic Mass	186.046 Da
Topological Polar Surface Area	82.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	260.000
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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