4,4'-Biphenyldithiol - ≥98%(HPLC) , CAS No.6954-27-4

CAS: 6954-27-4 Cat. No.: B152760 分子式: C₁₂H₁₀S₂ 分子量: 218.33 Beilstein Registry Number: 6(4)6655 EC番号: 230-136-8

GRADE & PURITY ≥98%(HPLC)

Synonyms

Q27116019 | EINECS 230-136-8 | 4,4'-Biphenyldithiol | biphenyl-4,4'-dithiol | NSC38039 | NSC-38039 | 4,4'-Biphenylldithiol | (1,1'-Biphenyl)-4,4'-dithiol | B2285 | VRPKUXAKHIINGG-UHFFFAOYSA-N | 4,4'-Thiobiphenyl | DTXSID60219797 | Biphenyl-4,4'-dithiol, 9

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

同義語

Q27116019 | EINECS 230-136-8 | 4,4'-Biphenyldithiol | biphenyl-4,4'-dithiol | NSC38039 | NSC-38039 | 4,4'-Biphenylldithiol | (1,1'-Biphenyl)-4,4'-dithiol | B2285 | VRPKUXAKHIINGG-UHFFFAOYSA-N | 4,4'-Thiobiphenyl | DTXSID60219797 | Biphenyl-4,4'-dithiol, 9

仕様と純度

≥98%(HPLC)

保管条件

Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%(HPLC)

名前と識別子

• パブケム・シド: 488185959
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488185959
• カノニカル・スマイル: C1=CC(=CC=C1C2=CC=C(C=C2)S)S
• IUPAC Name: 4-(4-sulfanylphenyl)benzenethiol
• InChIKey: VRPKUXAKHIINGG-UHFFFAOYSA-N
• INCHI: 1S/C12H10S2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H
• 異性体SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)S)S
• WGKドイツ: 3
• 分子量: 218.33
• Beilstein: 6(4)6655
• Reaxy-Rn: 2086977
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2086977&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Thiophenols Thiols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Thiophenol - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• External Descriptors: dithiol - biphenyls

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

化学的性質と物理的性質

• 感度: Air Sensitive
• 融点（°C）: 183 °C
• 分子量: 218.300 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 218.022 Da
• Monoisotopic Mass: 218.022 Da
• Topological Polar Surface Area: 2.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 145.000
• 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

参考文献

1. Yijie Yang, Shun Yao, Ying Li, Yuanhang Wu, Chang Li, Congshu Hang, Hui Li.  (2025)  Orientation growth modulation of Mo-Doped Ni3S2 heterostructures utilizing Polysulfide as a sulfur source and in-situ intercalation for enhanced electrocatalytic performance.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2025.118946]