Diphenyl sulfide - ≥98% , CAS No.139-66-2

CAS: 139-66-2 Cat. No.: D107044 Peso molecular: 186.27 Beilstein Registry Number: 1907932 Número EC: 205-371-4

GRADE & PURITY ≥98%

Synonyms

AKOS000119955 | B5P3Y93MNR | Diphenyl sulfide | MFCD00003064 | UNII-B5P3Y93MNR | DTXCID6024383 | InChI=1/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10 | Sulfide, diphenyl | Diphenylthiamethane | phenylsulfanylbenzene | Diphenylsulfide | Tox21_302182 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS000119955 | B5P3Y93MNR | Diphenyl sulfide | MFCD00003064 | UNII-B5P3Y93MNR | DTXCID6024383 | InChI=1/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10 | Sulfide, diphenyl | Diphenylthiamethane | phenylsulfanylbenzene | Diphenylsulfide | Tox21_302182 |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504751730
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751730
• Sonrisas canónicas: C1=CC=C(C=C1)SC2=CC=CC=C2
• IUPAC Name: phenylsulfanylbenzene
• InChIKey: LTYMSROWYAPPGB-UHFFFAOYSA-N
• INCHI: 1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
• Isómeros SMILES: C1=CC=C(C=C1)SC2=CC=CC=C2
• WGK Alemania: 3
• RTECS: SX2275000
• Número ONU: 2810
• Peso molecular: 186.27
• Beilstein: 1907932
• Reaxy-Rn: 1907932
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907932&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylthioethers
• Alternative Parents: Polyphenyl thioethers Thiophenol ethers Sulfenyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diarylthioether - Polyphenyl thioether - Thiophenol ether - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
• External Descriptors: aryl sulfide

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

• Solubilidad: Soluble in ether, benzene, carbon disulphide.
• Índice de refracción: 1.633
• Punto de inflamación (°F): 258.8℉
• Punto de inflamación (°C): 126°C
• Punto de ebullición (°C): 296°C
• Punto de fusión (°C): -40°C
• Peso molecular: 186.270 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 186.05 Da
• Monoisotopic Mass: 186.05 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 116.000
• 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. Ying Chen, Ruili Pan, Liya Mei, Peijun Tian, Linlin Wang, Jianxin Zhao, Wei Chen, Gang Wang.  (2023)  Colon-Targeted Delivery of Indole Acetic Acid Helps Regulate Gut Motility by Activating the AHR Signaling Pathway.  Nutrients,  15  (19): (4282).  [PMID:37836566] [10.3390/nu15194282]

2. Hongjian Gu, Cheng Liu, Qian Liu, Hang Jia, Yue Qiao, Wenqi Zhao, Yousi Chen, Xigao Jian.  (2023)  High- and low-temperature resistant and intrinsically flame retardant poly(bisphthalazinone thioether sulfone ketone)s: Synthesis, structures and properties.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.144480]

3. Longwei Huang, Ke Zheng, Yuting Jin, Shaoqi Zhou.  (2023)  Chlorine-Resistant Loose Nanofiltration Membranes Fabricated via Interfacial Polymerization Using Sulfone Group-Containing Amine Monomer for Dye/Salt Separation.  Water,  15  (8): (1456).  [PMID:] [10.3390/w15081456]

4. Li Fang, Qionghao Xu, Yanyan Qi, Xiaoxue Wu, Yanghe Fu, Qiang Xiao, Fumin Zhang, Weidong Zhu.  (2020)  Fe/Fe3C@N-doped porous carbon microspindles templated from a metal–organic framework as highly selective and stable catalysts for the catalytic oxidation of sulfides to sulfoxides.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2020.110863]

5. Yili Mao, Ke Du, Xiaofeng Xia, Zhiwei Gao, Qilin Xiao, Quan Shi, Yongge Sun.  (2025)  Determining carbon isotopic compositions of benzothiophenes and dibenzothiophenes in crude oils and potential geochemical implications.  ORGANIC GEOCHEMISTRY,      [PMID:] [10.1016/j.orggeochem.2025.104944]

6. 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]

7. Jiayi An, Kang Xue, Mengchao Zhao, Yumei Shu, Ji-Jun Zou, Xiangwen Zhang, Lun Pan.  (2025)  Effect of organic sulfur-containing compounds on thermal oxidation stability of jet fuel.  FUEL,      [PMID:] [10.1016/j.fuel.2025.137105]