TILUDRONIC ACID, DISODIUM SALT (149845-07-8)

The Tiludronic acid disodium salt with the CAS number 149845-07-8 is also called Phosphonic acid,[[(4-chlorophenyl)thio]methylene]bis-, sodium salt (1:2). The IUPAC name is disodium[(4-chlorophenyl)sulfanyl-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate. Its molecular formula is C₇H₇ClNa₂O₆P₂S. This chemical belongs to the following product categories: (1)Intermediates & Fine Chemicals; (2)Pharmaceuticals; (3)Phosphorylating and Phosphitylating Agents.

The properties of the chemical are: (1)ACD/LogP: -0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.95; (4)ACD/LogD (pH 7.4): -5.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 137.98 Å²; (13)Enthalpy of Vaporization: 94.02 kJ/mol; (14)Vapour Pressure: 2.79×10^-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].Clc1ccc(SC(P([O-])(=O)O)P([O-])(=O)O)cc1
(2)InChI: InChI=1/C7H9ClO6P2S.2Na/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14;;/h1-4,7H,(H2,9,10,11)(H2,12,13,14);;/q;2*+1/p-2
(3)InChIKey: SKUHWSDHMJMHIW-NUQVWONBAI