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24242-22-6

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Basic Information
CAS No.: 24242-22-6
Name: 5-Mercaptopyridine-2-carboxylic acid
Molecular Structure:
Molecular Structure of 24242-22-6 (5-Mercaptopyridine-2-carboxylic acid)
Formula: C6H5NO2S
Molecular Weight: 155.177
Synonyms: Picolinic acid, 5-mercapto- (8CI);3-Mercapto-6-pyridinecarboxylic acid;5-Mercapto-2-pyridinecarboxylic acid;5-Mercaptopicolinic acid;
Density: 1.439 g/cm3
Boiling Point: 355.4 °C at 760 mmHg
Flash Point: 168.8 °C
PSA: 88.99000
LogP: 1.06850
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Specification

The 2-Pyridinecarboxylicacid, 5-mercapto- is an organic compound with the formula C6H5NO2S. The systematic name of this chemical is 5-Sulfanylpyridine-2-carboxylic acid. The CAS registry number of this chemical is 24242-22-6. Besides, its molecular weight is 155.1744.

The physical properties of 2-Pyridinecarboxylicacid, 5-mercapto- are: (1)ACD/LogP: 0.96; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 88.99 Å2; (10)Index of Refraction: 1.652; (11)Molar Refractivity: 39.44 cm3; (12)Molar Volume: 107.7 cm3; (13)Polarizability: 15.63×10-24 cm3; (14)Surface Tension: 70.2 dyne/cm; (15)Density: 1.439 g/cm3; (16)Flash Point: 168.8 °C; (17)Enthalpy of Vaporization: 63.38 kJ/mol; (18)Boiling Point: 355.4 °C at 760 mmHg; (19)Vapour Pressure: 1.14E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Sc1cnc(cc1)C(=O)O
(2)InChI: InChI=1/C6H5NO2S/c8-6(9)5-2-1-4(10)3-7-5/h1-3,10H,(H,8,9)
(3)InChIKey: CTAJWLMNJKCYMD-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C6H5NO2S/c8-6(9)5-2-1-4(10)3-7-5/h1-3,10H,(H,8,9)
(5)Std. InChIKey: CTAJWLMNJKCYMD-UHFFFAOYSA-N