Methyl Benzyl Sulfoxide - ≥97% , CAS No.824-86-2

CAS: 824-86-2 Cat. No.: M334699 Peso molecular: 154.23

GRADE & PURITY ≥97%

Synonyms

Benzene, [(methylsulfinyl)methyl]- | Benzyl methyl sulfoxide | methylsulfinylmethylbenzene | [(Methylsulfinyl)methyl]benzene # | (+/-)-Benzyl Methyl Sulfoxide | BDBM50224863 | SCHEMBL230204 | EINECS 212-539-0 | DS 1 | alpha-(Methylsulphinyl)toluene | LISV

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Methyl Benzyl Sulfoxid is a sulfur based building block.

Specifications

Sinónimos

Benzene, [(methylsulfinyl)methyl]- | Benzyl methyl sulfoxide | methylsulfinylmethylbenzene | [(Methylsulfinyl)methyl]benzene # | (+/-)-Benzyl Methyl Sulfoxide | BDBM50224863 | SCHEMBL230204 | EINECS 212-539-0 | DS 1 | alpha-(Methylsulphinyl)toluene | LISV

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488184446
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184446
• Sonrisas canónicas: CS(=O)CC1=CC=CC=C1
• IUPAC Name: methylsulfinylmethylbenzene
• InChIKey: LISVNGUOWUKZQY-UHFFFAOYSA-N
• INCHI: 1S/C8H10OS/c1-10(9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
• Isómeros SMILES: CS(=O)CC1=CC=CC=C1
• Peso molecular: 154.23
• Reaxy-Rn: 1858697
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1858697&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyl sulfoxides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl alkyl sulfoxides
• Alternative Parents: Sulfoxides Sulfinyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl alkyl sulfoxide - Sulfoxide - Sulfinyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyl alkyl sulfoxides. These are organosulfur compounds that contain a sulfoxide group substituted by a benzyl group, and an alkyl group. They have the general structure RS(=O)R' ( R=benzyl, R'=alkyl).
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 154.230 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 154.045 Da
• Monoisotopic Mass: 154.045 Da
• Topological Polar Surface Area: 36.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 116.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1