4,5-Dimethoxy-2-(methylsulfanyl)benzaldehyde - ≥95% , CAS No.63624-30-6

CAS: 63624-30-6 Cat. No.: D1266402 Fórmula: C₁₀H₁₂O₃S Peso molecular: 212.27

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=C(C(=C1)C=O)SC)OC
• IUPAC Name: 4,5-dimethoxy-2-methylsulfanylbenzaldehyde
• InChIKey: ZCLXCLRRCZYOTJ-UHFFFAOYSA-N
• INCHI: 1S/C10H12O3S/c1-12-8-4-7(6-11)10(14-3)5-9(8)13-2/h4-6H,1-3H3
• Peso molecular: 212.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Thiophenol ethers Phenoxy compounds Benzoyl derivatives Benzaldehydes Anisoles Alkylarylthioethers Alkyl aryl ethers Vinylogous thioesters Sulfenyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Dimethoxybenzene - O-dimethoxybenzene - Anisole - Benzaldehyde - Benzoyl - Phenol ether - Thiophenol ether - Phenoxy compound - Aryl thioether - Aryl-aldehyde - Alkyl aryl ether - Alkylarylthioether - Vinylogous thioester - Sulfenyl compound - Thioether - Ether - Organosulfur compound - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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

Propiedades químicas y físicas

• Peso molecular: 212.270 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 212.051 Da
• Monoisotopic Mass: 212.051 Da
• Topological Polar Surface Area: 60.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 186.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% 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 63624-30-6, the molecular formula is C10H12O3S, and the molecular weight is 212.27 g/mol. InChIKey ZCLXCLRRCZYOTJ-UHFFFAOYSA-N.