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5-(Ethylthio)benzo[d][1,3]dioxole , CAS No.5279-34-5

5-(Ethylthio)benzo[d][1,3]dioxole , CAS No.5279-34-5

Name: 5-(Ethylthio)benzo[d][1,3]dioxole , CAS No.5279-34-5
SKU: E1275848
Availability: InStock

CAS: 5279-34-5 Cat. No.: E1275848 Fórmula: C₉H₁₀O₂S Peso molecular: 182.24

COA

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Storage

Room temperature

Shipped In

Normal

Specifications Nomes e identificadores Documentation Advanced Data Taxonomic Classification Estrutura 3D Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Calculadoras de soluções Revisões

🧪

Why this grade

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

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nomes e identificadores

Sorrisos canónicos

CCSC1=CC2=C(C=C1)OCO2

IUPAC Name

5-ethylsulfanyl-1,3-benzodioxole

InChIKey

WZDLXSPXDIKODX-UHFFFAOYSA-N

INCHI

1S/C9H10O2S/c1-2-12-7-3-4-8-9(5-7)11-6-10-8/h3-5H,2,6H2,1H3

Peso molecular

182.24

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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Classe Benzodioxoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Classe	Benzodioxoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzodioxoles
Alternative Parents	Thiophenol ethers Alkylarylthioethers Sulfenyl compounds Oxacyclic compounds Acetals Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzodioxole - Aryl thioether - Thiophenol ether - Alkylarylthioether - Benzenoid - Oxacycle - Sulfenyl compound - Thioether - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic heteropolycyclic compound
Descrição	This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
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

Estrutura 3D

Certificados（CoA,COO,BSE/TSE e Mapa de Análise)

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

Analytical Chart:

Propriedades químicas e físicas

Peso molecular	182.240 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	182.04 Da
Monoisotopic Mass	182.04 Da
Topological Polar Surface Area	43.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	151.000
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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Revisões

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