3-Acetylthiophene - ≥98% , CAS No.1468-83-3

CAS: 1468-83-3 Cat. No.: A111250 Formula: C₆H₆OS Peso molecolare: 126.18 Beilstein Registry Number: 107241 Numero EC: 215-996-4

GRADE & PURITY ≥98%

Synonyms

AM84424 | STK503657 | A904927 | SCHEMBL10425 | Z513734012 | F0001-0524 | InChI=1/C6H6OS/c1-5(7)6-2-3-8-4-6/h2-4H,1H3 | XB5SQX2RBW | 3-Acetothienone | AI-942/40192066 | Ethanone, 1-(3-thienyl)- | 3-Acetylthiopene | FT-0614860 | Ketone, methyl 3-thienyl | W

Storage

Room temperature

Shipped In

Normal

Panoramica

3-Acetylthiophene modified glassy carbon electrode has been used in voltammetric determination of uric acid in urine samples.

Specifications

Sinonimi

AM84424 | STK503657 | A904927 | SCHEMBL10425 | Z513734012 | F0001-0524 | InChI=1/C6H6OS/c1-5(7)6-2-3-8-4-6/h2-4H,1H3 | XB5SQX2RBW | 3-Acetothienone | AI-942/40192066 | Ethanone, 1-(3-thienyl)- | 3-Acetylthiopene | FT-0614860 | Ketone, methyl 3-thienyl | W

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488182070

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182070

Sorrisi canonici

CC(=O)C1=CSC=C1

IUPAC Name

1-thiophen-3-ylethanone

InChIKey

RNIDWJDZNNVFDY-UHFFFAOYSA-N

INCHI

1S/C6H6OS/c1-5(7)6-2-3-8-4-6/h2-4H,1H3

Isomeri SMILES

CC(=O)C1=CSC=C1

WGK Germania

3

Peso molecolare

126.18

Beilstein

107241

Reaxy-Rn

107241

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107241&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Aryl alkyl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones
• Direct Parent: Aryl alkyl ketones
• Alternative Parents: Thiophenes Heteroaromatic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl alkyl ketone - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
• External Descriptors: Not available

Data sources

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

Proprietà chimiche e fisiche

• Solubilità: Solubility in Methanol very faint turbidity
• Sensibilità: Light sensitive
• Punto di ebollizione (°C): 95°C/7mmHg
• Punto di fusione (°C): 57-62°C
• Peso molecolare: 126.180 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 126.014 Da
• Monoisotopic Mass: 126.014 Da
• Topological Polar Surface Area: 45.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 101.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

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

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

The CAS Number is 1468-83-3, the molecular formula is C6H6OS, and the molecular weight is 126.18 g/mol. InChIKey RNIDWJDZNNVFDY-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.