Sulfóxido de difenilo - ≥99% , CAS No.945-51-7

CAS: 945-51-7 Cat. No.: D109422 Peso molecular: 202.27 Beilstein Registry Number: 1908444 Número EC: 213-415-9

GRADE & PURITY ≥99%

Synonyms

Sulfóxido de fenilo | Sulfinildibenceno

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Sulfóxido de fenilo | Sulfinildibenceno

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488181888
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181888
• Sonrisas canónicas: C1=CC=C(C=C1)S(=O)C2=CC=CC=C2
• IUPAC Name: benzenesulfinylbenzene
• InChIKey: JJHHIJFTHRNPIK-UHFFFAOYSA-N
• INCHI: 1S/C12H10OS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
• Isómeros SMILES: C1=CC=C(C=C1)S(=O)C2=CC=CC=C2
• WGK Alemania: 3
• RTECS: DA9185000
• Peso molecular: 202.27
• Beilstein: 1908444
• Reaxy-Rn: 1908444
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1908444&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: a small molecule

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

Objetivos asociados (humanos)

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

vpr Aberrant vpr protein (14595 Activities)

Discover Target: vpr

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water. Soluble in most organic solvents.
• Punto de ebullición (°C): 206-208 °C
• Punto de fusión (°C): 68-72°C
• Peso molecular: 202.270 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 202.045 Da
• Monoisotopic Mass: 202.045 Da
• Topological Polar Surface Area: 36.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 170.000
• 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

Referencias

1. Ze Yang, Songding Guo, Zhenglai Huan, Yongbing Zhu, Tingting Zhang, Shangyi Li.  (2023)  In situ interface oxidation-adsorption by ferrate (VI)/PMS self-excitation: Unique dual-reaction platform for phenylarsonic acid degradation and immobilization.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2023.124651]

2. Lulu Wang, Laihong Shen, Yuyang Long, Dongsheng Shen, Shouxi Jiang.  (2022)  The behavior of organic sulfur species in fuel during chemical looping gasification.  ENVIRONMENTAL POLLUTION,      [PMID:36115485] [10.1016/j.envpol.2022.120165]

3. Yang Yang, Xinru Liu, Yilin Luo, Zhipeng Fan, Xiao Ling, Shuyu Yang, Zhaomeng Liu, Xiangtai Meng, Ying Liu, Xiaohui Wang, Jinrong Bao.  (2025)  Electrospun fibrous diphenyl sulfoxide incorporated polymer films for enhanced anti-counterfeiting.  JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,      [PMID:] [10.1016/j.jphotochem.2025.116669]

4. Hongrui Zhang, Feng Xu, Xiang Zhou, Zhiquan Chen, Juncheng Jiang, Gang Fu, Lei Ni.  (2025)  Continuous Flow Synthesis and Kinetic Study of Diphenyl Sulfoxide in a Microreactor.  ORGANIC PROCESS RESEARCH & DEVELOPMENT,      [PMID:] [10.1021/acs.oprd.5c00018]

5. Zhiwei Meng, Zirui Peng, Yupeng Yan, Qin Zhang, Yang Li.  (2025)  Non-radical degradation mechanism on ZnO quantum dots/hollow-sphere g-C3N4 S-scheme heterojunction photocatalysts for tetracycline degradation.  iScience,      [PMID:41079623] [10.1016/j.isci.2025.113500]