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| CAS No.: | 29448-81-5 |
|---|---|
| Name: | 1H-Imidazo[4,5-b]pyridine-2-thiol |
| Molecular Structure: | |
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| Formula: | C6H5N3S |
| Molecular Weight: | 151.192 |
| Synonyms: | 1,3-Dihydroimidazo[4,5-b]pyridine-2-thione;1H-Imidazo[4,5-b]pyridine-2-thiol;2-Mercapto-1H-imidazo[4,5-b]pyridine;2-Mercapto-4-azabenzimidazole;4-Aza-2-mercaptobenzimidazole;NSC 403067; |
| Density: | 1.49 g/cm3 |
| Melting Point: | >300 °C |
| Boiling Point: | 308.3 °C at 760 mmHg |
| Flash Point: | 140.3 °C |
| Hazard Symbols: | Xi |
| PSA: | 80.37000 |
| LogP: | 1.24660 |
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Specification
The 1H-Imidazo[4,5-b]pyridine-2-thiol with the cas number 29448-81-5 is also called 2H-Imidazo[4,5-b]pyridine-2-thione,1,3-dihydro-. The IUPAC name is 1,3-dihydroimidazo[4,5-b]pyridine-2-thione. Its molecular formula is C6H5N3S. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.38; (4)ACD/LogD (pH 7.4): -1.38; (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: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.46 Å2; (13)Index of Refraction: 1.76; (14)Molar Refractivity: 41.54 cm3; (15)Molar Volume: 100.8 cm3; (16)Polarizability: 16.46×10-24cm3; (17)Surface Tension: 90.4 dyne/cm; (18)Enthalpy of Vaporization: 54.9 kJ/mol; (19)Vapour Pressure: 0.000686 mmHg at 25°C.
Preparation: This chemical can be prepared by pyridine-2,3-diamine and carbon disulfide. This reaction needs reagent pyridine at heating condition. The reaction time is 5.0 hours. The yield is 98%.
Uses: This chemical can react with acrylonitrile to prepare 2-N-(b-Cyanoethyl)-2-mercaptopyridoimidazole. This reaction needs reagent pyridine and solvent H2O at heating condition. The reaction time is 4.0 hours. The yield is 60%.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C2Nc1cccnc1N2
(2)InChI: InChI=1/C6H5N3S/c10-6-8-4-2-1-3-7-5(4)9-6/h1-3H,(H2,7,8,9,10)
(3)InChIKey: ZLYRPVTXHARSPL-UHFFFAOYAK