The 3-Pyridinecarboxylicacid, 5-mercapto-, with the CAS registry number 24242-21-5, is also known as 5-Mercaptonicotinic acid. This chemical's molecular formula is C6H5NO2S and molecular weight is 155.1744. What's more, its systematic name is called 5-Sulfanylpyridine-3-carboxylic acid.
Physical properties about 3-Pyridinecarboxylicacid, 5-mercapto- are: (1)ACD/LogP: 0.53; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 88.99 Å2; (7)Index of Refraction: 1.652; (8)Molar Refractivity: 39.44 cm3; (9)Molar Volume: 107.7 cm3; (10)Polarizability: 15.63×10-24 cm3 ; (11)Surface Tension: 70.2 dyne/cm; (12)Density: 1.439 g/cm3; (13)Flash Point: 174.6 °C; (14)Enthalpy of Vaporization: 64.5 kJ/mol; (15)Boiling Point: 365 °C at 760 mmHg; (16)Vapour Pressure: 5.71E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cncc1S)C(=O)O
(2) InChI: InChI=1/C6H5NO2S/c8-6(9)4-1-5(10)3-7-2-4/h1-3,10H,(H,8,9)
(3) InChIKey: QOXTYYLFVZPAKO-UHFFFAOYAG
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