2,3,5,6-Tetrachloropyridine-4-thiol

The 2,3,5,6-Tetrachloropyridine-4-thiol, with the CAS registry number 10351-06-1, is also known as 4-Pyridinethiol, 2,3,5,6-tetrachloro-. Its EINECS registry number is 233-764-0. This chemical's molecular formula is C₅HCl₄NS and molecular weight is 248.94514. Its IUPAC name is called 2,3,5,6-tetrachloro-1H-pyridine-4-thione. What's more, the product should be sealed and stored in cool and dry place.

Physical properties of 2,3,5,6-Tetrachloropyridine-4-thiol: (1)ACD/LogP: 0.64; (2)ACD/LogD (pH 5.5): 0.99; (3)ACD/LogD (pH 7.4): 0.83; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.6; (7)ACD/KOC (pH 7.4): 2.48; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)Index of Refraction: 1.677; (11)Molar Refractivity: 52.15 cm³; (12)Molar Volume: 138.3 cm³; (13)Surface Tension: 64 dyne/cm; (14)Density: 1.79 g/cm³; (15)Flash Point: 77.5 °C; (16)Enthalpy of Vaporization: 44.08 kJ/mol; (17)Boiling Point: 204.6 °C at 760 mmHg; (18)Vapour Pressure: 0.262 mmHg at 25°C.

Preparation of 2,3,5,6-Tetrachloropyridine-4-thiol: this chemical can be prepared by 4-trifluoromethylthio-2,3,5,6-tetrachloropyridine. This reaction will need reagent NaSH and solvent methanol. The reaction time is 15 min with ambient temperature. The yield is about 69.4%.

Uses of 2,3,5,6-Tetrachloropyridine-4-thiol: it can be used to produce 4-heptafluoropropylthio-2,3,5,6-tetrachloropyridine at temperature of 40 - 55 °C. This reaction will need reagent xenon difluoride. The yield is about 85%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1(=C(NC(=C(C1=S)Cl)Cl)Cl)Cl
(2)InChI: InChI=1S/C5HCl4NS/c6-1-3(11)2(7)5(9)10-4(1)8/h(H,10,11)
(3)InChIKey: LVUQDNJRAHUUSB-UHFFFAOYSA-N