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

CAS: 139-66-2 Cat. No.: D107044 分子式: C₁₂H₁₀S 分子量: 186.27 Beilstein Registry Number: 1907932 EC番号: 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

同義語

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 |

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

504751730

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504751730

カノニカル・スマイル

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

異性体SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2

WGKドイツ

3

RTECS

SX2275000

UN番号

2810

分子量

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
    • 分類 Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in ether, benzene, carbon disulphide.
• 屈折率: 1.633
• 引火点（°F）: 258.8℉
• 引火点（°C）: 126°C
• 沸点（°C）: 296°C
• 融点（°C）: -40°C
• 分子量: 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