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| CAS No.: | 18368-58-6 |
|---|---|
| Name: | 2-MERCAPTO-5-METHYLPYRIDINE |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C6H7NS |
| Molecular Weight: | 125.19 |
| Synonyms: | 5-Methyl-2-pyridthione;5-Methyl-2-thiopyridine;5-Methylpyridine-2-thiol;2-Mercapto-5-methylpyridine; |
| Density: | 1.15 g/cm3 |
| Boiling Point: | 195.1 °C at 760 mmHg |
| Flash Point: | 71.8 °C |
| PSA: | 51.69000 |
| LogP: | 1.67870 |
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- Total:15 Page 1 of 1 1
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Specification
This chemical is called 2(1H)-Pyridinethione, 5-methyl-, and its IUPAC name is 5-methyl-1H-pyridine-2-thione. With the molecular formula of C6H7NS, its molecular weight is 125.19. The CAS registry number of this chemical is 18368-58-6. Additionally, its product category is Pyridine.
Other characteristics of the 2(1H)-Pyridinethione, 5-methyl- can be summarised as followings: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 2.87; (6)ACD/BCF (pH 7.4): 2.86; (7)ACD/KOC (pH 5.5): 74.06; (8)ACD/KOC (pH 7.4): 73.77; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 35.33 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 38.13 cm3; (15)Molar Volume: 108.5 cm3; (16)Polarizability: 15.11×10-24cm3; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 71.8 °C; (20)Enthalpy of Vaporization: 43.13 kJ/mol; (21)Boiling Point: 195.1 °C at 760 mmHg; (22)Vapour Pressure: 0.426 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: S=C1/C=C\C(=C/N1)C
2.InChI: InChI=1/C6H7NS/c1-5-2-3-6(8)7-4-5/h2-4H,1H3,(H,7,8)
3.InChIKey: IYKXPOCKTZADOH-UHFFFAOYAX