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CS-W001157 4
Total: USD 88.00

2,5-Diaminobenzene-1,4-dithiol dihydrochloride

  • CAS No. 75464-52-7

  • Cat. No. CS-W008259
  • Molecule weight245.19
  • Purity≥95%
  • MDL No.MFCD00142835

*For research and further manufacturing use only, not for direct human use.

2,5-Diaminobenzene-1,4-dithiol dihydrochloride|CS-W008259

Structure of 75464-52-7

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General Information

  • CAS No. 75464-52-7
  • Cat. No. CS-W008259
  • Purity ≥95%
  • MDL No. MFCD00142835
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₀Cl₂N₂S₂
  • Molecular Weight 245.19
  • Synonym(s) 2,5-Dimercapto-1,4-phenylenediamine Dihydrochloride
  • SMILES NC1=C(S)C=C(N)C(S)=C1.Cl.Cl

Description

2,5-Diaminobenzene-1,4-dithiol dihydrochloride features a rigid aromatic core with two primary amine and two thiol groups positioned for orthogonal reactivity. This configuration enables selective conjugation in bioorthogonal labeling and materials assembly. The dihydrochloride salt enhances solubility in aqueous systems while maintaining stability under standard bench conditions.

Application

2,5-Diaminobenzene-1,4-dithiol dihydrochloride serves as a versatile bifunctional building block for the synthesis of thioether-linked heterocycles and metal-chelating scaffolds. Its diamine and dithiol functionalities enable efficient cyclization reactions under mild conditions, facilitating the construction of benzodithiolane frameworks with high regioselectivity. The dihydrochloride salt enhances solubility and bench stability, simplifying handling and purification in multi-step syntheses.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   52.04
  • LogP   2.272
  • H_Acceptors   4
  • H_Donors   4
  • Rotatable_Bonds   0

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