4,4′-Thiobisbenzenethiol - ≥98% , CAS No.19362-77-7

CAS: 19362-77-7 Cat. No.: T101821 Peso molecular: 250.39 Beilstein Registry Number: 6(3)4474 Número EC: 629-122-8 PubChem CID: 619483

GRADE & PURITY ≥98%

Synonyms

CHEBI:183899 | 4-[(4-Sulfanylphenyl)sulfanyl]phenyl hydrosulfide # | FT-0637837 | 4,4'-Thiobisbenzenethiol, 95 Percent | 4-(4-sulanylphenyl)sulanylbenzenethiol | trans-tert-butyl 4-amino-cyclohexylcarbamate | 4-[(4-sulfanylphenyl)sulfanyl]benzene-1-thiol

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

Usually used as monomer and intermediate for dyes.

Specifications

Sinónimos

CHEBI:183899 | 4-[(4-Sulfanylphenyl)sulfanyl]phenyl hydrosulfide # | FT-0637837 | 4, 4'-Thiobisbenzenethiol, 95 Percent | 4-(4-sulanylphenyl)sulanylbenzenethiol | trans-tert-butyl 4-amino-cyclohexylcarbamate | 4-[(4-sulfanylphenyl)sulfanyl]benzene-1-thiol

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488190775
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190775
• Sonrisas canónicas: C1=CC(=CC=C1S)SC2=CC=C(C=C2)S
• IUPAC Name: 4-(4-sulfanylphenyl)sulfanylbenzenethiol
• InChIKey: JLLMOYPIVVKFHY-UHFFFAOYSA-N
• INCHI: 1S/C12H10S3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H
• Isómeros SMILES: C1=CC(=CC=C1S)SC2=CC=C(C=C2)S
• WGK Alemania: 3
• PubChem CID: 619483
• Peso molecular: 250.39
• Beilstein: 6(3)4474
• Reaxy-Rn: 1961160

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: Thiophenols Thiophenol ethers Benzene and substituted derivatives Sulfenyl compounds Thiols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diarylthioether - Thiophenol ether - Thiophenol - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Arylthiol - 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: 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

• Solubilidad: Soluble in Toluene
• Sensibilidad: air sensitive
• Punto de ebullición (°C): 148°C/12mmHg
• Punto de fusión (°C): 112-114°C
• Peso molecular: 250.400 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 249.994 Da
• Monoisotopic Mass: 249.994 Da
• Topological Polar Surface Area: 27.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 159.000
• 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. Liu Xing, Zhou Jianjun, Liu Shumei, Zhao Jianqing.  (2023)  Design and synthesis of thiol-terminated imidothioether oligomer as thermally latent hardener and modifier for high-performance epoxy/thiol thermosets.  Science China-Chemistry,      [PMID:] [10.1007/s11426-023-1771-6]

2. Qianqian Wang, Hao Cui, Xiaolin Wang, Ziyu Hu, Peipei Tao, Mingyang Li, Jianlong Wang, Yaping Tang, Hong Xu, Xiangming He.  (2023)  Exceptional Light Sensitivity by Thiol–Ene Click Lithography.  Journal of the American Chemical Society,      [PMID:36625511] [10.1021/jacs.2c11887]

3. Jingran Zhang, Baozhu Li, Heran Song, Chen Zhao, Songfeng Liang, Zhurong Dong, Jie Yu.  (2022)  High Refractive Index Diphenyl Sulfide Photopolymers for Solar Cell Antireflection Coatings.  Energies,  15  (11): (3972).  [PMID:] [10.3390/en15113972]

4. Ning Zhang, Siyu Guo, Bolin Gong.  (2021)  Preparation of a novel bridged bis(β-cyclodextrin) chiral stationary phase by thiol–ene click chemistry for enhanced enantioseparation in HPLC.  RSC Advances,  11  (57): (35754-35764).  [PMID:35492805] [10.1039/D1RA04697G]

5. Jun Du, Die Huang, Hongkun Li, Anjun Qin, Ben Zhong Tang, Yongfang Li.  (2020)  Catalyst-Free Click Polymerization of Thiol and Activated Internal Alkynes: A Facile Strategy toward Functional Poly(β-thioacrylate)s.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.0c00311]

6. Feihu Li, Bingtao Tang, Shufen Zhang.  (2017)  Iridescent structural colors from self-assembled polymer opal of polythiourethane microspheres.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2017.03.059]

7. Nafeesa Mushtaq, Guofei Chen, Lala Rukh Sidra, Yang Liu, Xingzhong Fang.  (2016)  Synthesis and crosslinking study of isomeric poly(thioether ether imide)s containing pendant nitrile and terminal phthalonitrile groups.  Polymer Chemistry,  7  (48): (7427-7435).  [PMID:] [10.1039/C6PY01705C]

8. Jiangtao Liu, Guofei Chen, Xingzhong Fang.  (2015)  Preparation, characterization, and properties of poly(thioether imide)s from isomeric bis(chlorophthalimide)s and bisthiophenols.  HIGH PERFORMANCE POLYMERS,      [PMID:] [10.1177/0954008315570400]

9. Xia Sun, Ying Zhu, Xiangyou Wang.  (2012)  Amperometric immunosensor based on deposited gold nanocrystals/4,4′-thiobisbenzenethiol for determination of carbofuran.  FOOD CONTROL,      [PMID:] [10.1016/j.foodcont.2012.04.027]

10. Zhicheng Zhu, Yutong Zhou, Jingtong Zhai, Da Yue, Zeda Chen, Chongming Liu, Kai Zhang, Bai Yang.  (2025)  High Refractive Index Carbonized Polymer Dots: Multifunctional Nano-Building Block for Optical Materials.  Small,      [PMID:40827824] [10.1002/smll.202507588]

11. Xing Liu, Zhenzhi Liu, Houqun Xiao, Lijing Han, Jianqing Zhao.  (2025)  Phosphorus-Containing Polyimidothioether as a Latent Curing Agent and Flame Retardant for One-Component Epoxy Resins.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.5c02469]