CAS No.23003-22-7,2-MERCAPTO-PYRIDIN-3-OL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	23003-22-7
Name:	2-MERCAPTO-PYRIDIN-3-OL
Article Data:	10

Formula:	C₅H₅NOS
Molecular Weight:	127.167
Synonyms:	2-Mercapto-3-hydroxypyridine;2-Mercapto-3-pyridinol;3-Hydroxy-2(1H)-pyridinethione;3-Hydroxy-2-mercaptopyridine;3-Hydroxy-2-pyridinethione;3-Hydroxypyridine-2-thiol;NSC 283470;
EINECS:	245-375-3
Density:	1.41 g/cm³
Melting Point:	141 °C
Boiling Point:	235.9 °C at 760 mmHg
Flash Point:	96.5 °C
Appearance:	yellow to green
PSA:	71.92000
LogP:	1.07590

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Specification

This chemical is called 2(1H)-Pyridinethione,3-hydroxy-, and its IUPAC name is 3-hydroxypyridine-2(1H)-thione. With the molecular formula of C₅H₅NOS, its molecular weight is 127.16. The CAS registry number of this chemical is 23003-22-7. Additionally, its product categories are Thiol; Pyridine; Pharmacetical.

Other characteristics of the 2(1H)-Pyridinethione,3-hydroxy- can be summarised as followings: (1)ACD/LogP: 0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.08; (4)ACD/LogD (pH 7.4): -0.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.16; (8)ACD/KOC (pH 7.4): 17.71; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.56 Å²; (13)Index of Refraction: 1.709; (14)Molar Refractivity: 35.03 cm³; (15)Molar Volume: 89.7 cm³; (16)Polarizability: 13.89×10^-24cm³; (17)Surface Tension: 74.8 dyne/cm; (18)Density: 1.41 g/cm³; (19)Flash Point: 96.5 °C; (20)Enthalpy of Vaporization: 54.94 kJ/mol; (21)Boiling Point: 235.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00884 mmHg at 25°C.

Production method of this chemical: The 2(1H)-Pyridinethione,3-hydroxy- could be obtained by the reactant of 2-bromo-pyridin-3-ol. This reaction needs the reagent of NaSH*H₂O, and the solvent of ethane-1,2-diol. The yield is 75 %. In addition, this reaction should be taken for 24 hours at the temperature of 120°C.

The 2(1H)-Pyridinethione,3-hydroxy- could be obtained by the reactant of 2-bromo-pyridin-3-ol

Uses of this chemical: The 2(1H)-Pyridinethione,3-hydroxy- could react with carbonyl dichloride to obtain the 2(S),3-pyridinediyl thiocarbonate. This reaction needs the solvents of tetrahydrofuran, toluene. The yield is 61 %. In addition, this reaction should be taken for 3 hours at the temperature of 25 °C.

The 2(1H)-Pyridinethione,3-hydroxy- could react with carbonyl dichloride to obtain the 2(S),3-pyridinediyl thiocarbonate

You can still convert the following datas into molecular structure:
1.SMILES: S=C1C(/O)=C\C=C/N1
2.InChI: InChI=1/C5H5NOS/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)
3.InChIKey: MARYDOMJDFATPK-UHFFFAOYAU