2,5-Dimercaptoterephthalic Acid - ≥97% , CAS No.25906-66-5

CAS: 25906-66-5 Cat. No.: B300649 Summenformel: C₈H₆O₄S₂ Molekulargewicht: 230.25 EG-Nummer: 247-330-3

GRADE & PURITY ≥97%

Synonyms

DTXSID20180575 | EINECS 247-330-3 | 2,5-Dimercaptoterephthalicacid | DX88CHD4DD | 2,5-bis(sulfanyl)terephthalic acid | SCHEMBL939857 | 2,5-Disulfanylterephthalic acid | 1,4-Benzenedicarboxylic acid, 2,5-dimercapto- | YSWG190 | 25906-66-5

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

DTXSID20180575 | EINECS 247-330-3 | 2,5-Dimercaptoterephthalicacid | DX88CHD4DD | 2,5-bis(sulfanyl)terephthalic acid | SCHEMBL939857 | 2,5-Disulfanylterephthalic acid | 1,4-Benzenedicarboxylic acid, 2,5-dimercapto- | YSWG190 | 25906-66-5

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488187546
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187546
• Kanonisches Lächeln: C1=C(C(=CC(=C1S)C(=O)O)S)C(=O)O
• IUPAC Name: 2,5-bis(sulfanyl)terephthalic acid
• InChIKey: YYGZWQNDFRCZIF-UHFFFAOYSA-N
• INCHI: 1S/C8H6O4S2/c9-7(10)3-1-5(13)4(8(11)12)2-6(3)14/h1-2,13-14H,(H,9,10)(H,11,12)
• Isomere SMILES: C1=C(C(=CC(=C1S)C(=O)O)S)C(=O)O
• Molekulargewicht: 230.25
• Reaxy-Rn: 2845790
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2845790&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Phthalic acid and derivatives
          • Ebene6 P-phthalic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Phthalic acid and derivatives
• Direct Parent: P-phthalic acid and derivatives
• Alternative Parents: O-sulfanylbenzoic acids M-sulfanylbenzoic acids Benzoic acids Thiophenols Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acids Thiols Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Para_phthalic_acid - M-sulfanylbenzoic acid - M-sulfanylbenzoic acid or derivatives - O-sulfanylbenzoic acid - O-sulfanylbenzoic acid or derivatives - Benzoic acid - Benzoyl - Thiophenol - Dicarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Arylthiol - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as p-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 4.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 230.300 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 229.971 Da
• Monoisotopic Mass: 229.971 Da
• Topological Polar Surface Area: 76.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 230.000
• 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

Referenzen

1. Hanlun Yang, Canwei Peng, Jiajia Han, Yonghai Song, Li Wang.  (2020)  Three-dimensional macroporous Carbon/Zr-2,5-dimercaptoterephthalic acid metal-organic frameworks nanocomposites for removal and detection of Hg(II).  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2020.128447]

2. Xiangrong Li, Shaohua Xie, Dongman Hou, Wenliang Wang, Guoqiang Li.  (2025)  Functionalized UiO-66 induces shallow electron traps in heterojunctions with InN for enhanced photocathodic water splitting.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:39855098] [10.1016/j.jcis.2025.01.120]

3. Chuanxun Zhang, Bo Hu, Jiajia Ren, Wanqi Du, Minjia Meng.  (2024)  Thiol–Amino Bifunctional Metal–Organic-Framework-Based Membrane Regulating Hydrophobic Sites for Selective Separation of Artesunate.  INORGANIC CHEMISTRY,      [PMID:39047187] [10.1021/acs.inorgchem.4c02295]

4. Yan Chen, Zhiyang Zhang, Yanzhou Wu, Ke Liu, Yifan Sui, Xiaotong Su, Jiadong Chen, Jaebum Choo, Lingxin Chen.  (2025)  Utilizing Hydrogel-Isolated Dual-Carboxyl Surface-Enhanced Raman Scattering Probe for Accurate Online pH Monitoring.  ACS Sensors,      [PMID:41186109] [10.1021/acssensors.5c03124]

5. Yuan Wang, Lingxiu Liu, Fan Chen, Shaoyu Fang, Xiaohai Yan, Wushuang Bai, Qinglin Sheng, Yahong Yuan, Kewei Feng, Tianli Yue.  (2026)  Efficiency and mechanism of a magnetic immobilized PPL system for simultaneous removal of the hazardous mycotoxins patulin and ochratoxin A from fruit juice.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:42492454] [10.1016/j.jhazmat.2026.143064]

6. Junhui He, Mingming Zhang, Xiaochu Zheng, Jianfeng Li, Linjuan Yang, Cong Luo, Xudong Cui, Zhuoyu Ji, Daopeng Sheng, Xiaofang Feng, Tao Chen, Wenkun Zhu.  (2026)  Tailoring the Electron-Enriched Microenvironment of UiO-66 via Thiol Functionalization to Boost Non-Thermal Plasma CO2 Conversion.  INORGANIC CHEMISTRY,      [PMID:42402077] [10.1021/acs.inorgchem.6c01606]

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 25906-66-5, the molecular formula is C8H6O4S2, and the molecular weight is 230.25 g/mol. InChIKey YYGZWQNDFRCZIF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.