2,5-Diamino-1,4-benzenedithiol Dihydrochloride - ≥97%(HPLC) , CAS No.75464-52-7

CAS: 75464-52-7 Cat. No.: D136032 Molecular Weight: 245.18 EC Number: 678-120-3 PubChem CID: 14618269

GRADE & PURITY ≥97%(HPLC)

Synonyms

2,5-diaminobenzene-1,4-dithiol;dihydrochloride | 2,5-Diamino-1,4-benzenedithiol diHCl | MFCD00142835 | 2,5-DIAMINO-1,4-BENZENEDITHIOL 2HCL | 2,5-Dimercapto-1,4-phenylenediamine Dihydrochloride | 2,5-diaminobenzene-1,4-dithiol dihydrochloride | 2,5-Diamino

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Synonyms

2, 5-diaminobenzene-1, 4-dithiol;dihydrochloride | 2, 5-Diamino-1, 4-benzenedithiol diHCl | MFCD00142835 | 2, 5-DIAMINO-1, 4-BENZENEDITHIOL 2HCL | 2, 5-Dimercapto-1, 4-phenylenediamine Dihydrochloride | 2, 5-diaminobenzene-1, 4-dithiol dihydrochloride | 2, 5-Diamino

Specifications & Purity

≥97%(HPLC)

Storage

Room temperature, Argon charged, Desiccated

Shipped In

Normal

Purity

≥97%(HPLC)

Names and Identifiers

• Pubchem Sid: 504767687
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767687
• Canonical Smiles: C1=C(C(=CC(=C1S)N)S)N.Cl.Cl
• IUPAC Name: 2,5-diaminobenzene-1,4-dithiol;dihydrochloride
• InChIKey: HVXLKRWRWNFGBA-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2S2.2ClH/c7-3-1-5(9)4(8)2-6(3)10;;/h1-2,9-10H,7-8H2;2*1H
• Isomeric SMILES: C1=C(C(=CC(=C1S)N)S)N.Cl.Cl
• PubChem CID: 14618269
• Molecular Weight: 245.18
• Reaxy-Rn: 9431783

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Thiophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Thiophenols
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophenols
• Alternative Parents: Aniline and substituted anilines Thiols Primary amines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Thiophenol - Monocyclic benzene moiety - Arylthiol - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organosulfur compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiophenols. These are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.
• 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

• Solubility: Soluble in dimethylformamide
• Sensitivity: Air sensitive；Moisture sensitive
• Melt Point(°C): 210°C
• Molecular Weight: 245.200 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 243.966 Da
• Monoisotopic Mass: 243.966 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 106.000
• 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: 3

XLogP3

References

1. Qi Lai, Shaorong Huang, Yu Wu, Hu Bei, Shuilin Chen, Kun Zhang, Yuqin Xu, Xiaoyong Zhang, Guicai Sun, Yulong Ouyang.  (2025)  Construction of biodegradable benzobisthiazole-based conjugated polymers with pendant β-cyclodextrin for synergistic mild-temperature chemo-photothermal therapy.  MATERIALS & DESIGN,      [PMID:] [10.1016/j.matdes.2025.114102]

2. Yongchao Hao, Jun Zhao, Hongfang Li, Min Li, Guiquan Guo, Jiangyu Zhang, Fengyan Fu.  (2025)  Side chain engineering for modulating hydrophilicity of benzobisthiazole-based linear conjugated polymer to improve the photocatalytic hydrogen evolution.  JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,      [PMID:] [10.1016/j.jphotochem.2025.116530]

3. Jiana Lin, Ying Chen, Gongke Li, Yuling Hu.  (2025)  Supramolecular calix[6]arene-COF with pocket-like cavities for host-guest recognition-based SERS detection of tryptamine and seafood freshness monitoring.  FOOD CHEMISTRY,      [PMID:41386090] [10.1016/j.foodchem.2025.147438]

4. Ying Liu, Zhenyu Wang, Ducheng Yao, Chengcheng Chu, Zhong Chen, Wei Xiaojie, Jinguo Wang, Shun Mao.  (2026)  Enhanced polarization and interfacial convection of thiazole-bridged polymer-sponge architectures for high-efficiency photocatalytic water purification.  WATER RESEARCH,      [PMID:] [10.1016/j.watres.2026.125679]