The Pyrithioxine, with the CAS registry number 1098-97-1, is also known as 5,5'-[Disulfanediylbis(methylene)]bis[4-(hydroxymethyl)-2-methyl-3-pyridinol]. It belongs to the product categories of API; Aromatics; Drug Analogues; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals; Sulfur & Selenium Compounds. Its EINECS registry number is 214-150-1. This chemical's molecular formula is C₁₆H₂₀N₂O₄S₂ and molecular weight is 368.47. What's more, its IUPAC name is called 5-[[[5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyldisulfanyl] methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol. This chemical is a semi-natural water soluble analog of vitamin B6 (Pyridoxine HCl). It is used as a nootropic used in the prevention and treatment of cerebrovascular diseases. Pyrithioxine is approved for "symptomatic treatment of chronically impaired brain function in dementia syndromes" and for "supportive treatment of sequelae of craniocerebral trauma" in various European countries.

Physical properties about Pyrithioxine are: (1)ACD/LogP: 0.643; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.54; (4)ACD/LogD (pH 7.4): 0.58; (5)ACD/BCF (pH 5.5): 1.45; (6)ACD/BCF (pH 7.4): 1.57; (7)ACD/KOC (pH 5.5): 42.45; (8)ACD/KOC (pH 7.4): 46.21; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 157.3 Å²; (13)Index of Refraction: 1.704; (14)Molar Refractivity: 98.782 cm³; (15)Molar Volume: 254.381 cm³; (16)Polarizability: 39.16×10^-24 cm³; (17)Surface Tension: 78.85 dyne/cm; (18)Density: 1.448 g/cm³; (19)Flash Point: 403.023 °C; (20)Enthalpy of Vaporization: 113.676 kJ/mol; (21)Boiling Point: 742.787 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1c(c(cnc1C)CSSCc2c(c(O)c(nc2)C)CO)CO
(2) InChI: InChI=1S/C16H20N2O4S2/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20/h3-4,19-22H,5-8H2,1-2H3
(3) InChIKey: SIXLXDIJGIWWFU-UHFFFAOYSA-N

The toxicity data is as follows: