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

CAS: 25906-66-5 Cat. No.: B300649 Molecular Weight: 230.25 EC Number: 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

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

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488187546
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187546
• Canonical Smiles: 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)
• Isomeric SMILES: C1=C(C(=CC(=C1S)C(=O)O)S)C(=O)O
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Phthalic acid and derivatives
          • Level6 P-phthalic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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

References

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]