GRADE & PURITY ≥97%(HPLC), mixture of isomers

Synonyms

N12155 | 2-(benzenesulfinyl)ethylsulfinylbenzene | B3352 | 1,2-bis(phenylsulphinyl)ethane | AMY7061 | [2-(BENZENESULFINYL)ETHANESULFINYL]BENZENE | SCHEMBL1314975 | MFCD11846120 | AKOS005257927 | 1,2-Bis(phenylsulfinyl)ethane | DTXSID40422904

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

N12155 | 2-(benzenesulfinyl)ethylsulfinylbenzene | B3352 | 1, 2-bis(phenylsulphinyl)ethane | AMY7061 | [2-(BENZENESULFINYL)ETHANESULFINYL]BENZENE | SCHEMBL1314975 | MFCD11846120 | AKOS005257927 | 1, 2-Bis(phenylsulfinyl)ethane | DTXSID40422904

Especificaciones y pureza

≥97%(HPLC), mixture of isomers

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488195730
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195730
• Sonrisas canónicas: C1=CC=C(C=C1)S(=O)CCS(=O)C2=CC=CC=C2
• IUPAC Name: 2-(benzenesulfinyl)ethylsulfinylbenzene
• InChIKey: CSZMCUCIIIAHQD-UHFFFAOYSA-N
• INCHI: 1S/C14H14O2S2/c15-17(13-7-3-1-4-8-13)11-12-18(16)14-9-5-2-6-10-14/h1-10H,11-12H2
• Isómeros SMILES: C1=CC=C(C=C1)S(=O)CCS(=O)C2=CC=CC=C2
• Peso molecular: 278.38
• Beilstein: 6(4)1493
• Reaxy-Rn: 2332884
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2332884&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenyl sulfoxides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl sulfoxides
• Alternative Parents: Sulfoxides Sulfinyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenyl 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 phenyl sulfoxides. These are organosulfur compounds containing a sulfoxide group substituted with a phenyl 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

Propiedades químicas y físicas

• Peso molecular: 278.400 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 278.044 Da
• Monoisotopic Mass: 278.044 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 262.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1