1,4-Benzenedithiol,2,5-diamino-, hydrochloride (1:2) (75464-52-7)

The 2,5-Diamino-1,4-benzenedithiol dihydrochloride with the CAS number 75464-52-7 is also called 1,4-Benzenedithiol,2,5-diamino-, hydrochloride (1:2). The systematic name is 2,5-diaminobenzene-1,4-dithiol dihydrochloride. Its molecular formula is C₆H₈N₂S₂^.2(HCl). This chemical belongs to the following product categories: (1)Fluorenes, etc. (reagent for high-performance polymer research); (2)Functional Materials; (3)Reagent for High-Performance Polymer Research.

The properties of the 2,5-Diamino-1,4-benzenedithiol dihydrochloride are: (1)ACD/LogP: 0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 7; (6)ACD/KOC (pH 7.4): 7; (7)#H bond acceptors: 2; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 129.64 Å²; (11)Enthalpy of Vaporization: 68.7 kJ/mol; (12)Vapour Pressure: 1.85×10^-7 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.Sc1cc(N)c(S)cc1N
(2)InChI: InChI=1/C6H8N2S2.2ClH/c7-3-1-5(9)4(8)2-6(3)10;;/h1-2,9-10H,7-8H2;2*1H
(3)InChIKey: HVXLKRWRWNFGBA-UHFFFAOYAY