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| CAS No.: | 175277-57-3 |
|---|---|
| Name: | 6-METHYLPYRIDINE-3-CARBOTHIOAMIDE |
| Molecular Structure: | |
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| Formula: | C7H8N2S |
| Molecular Weight: | 152.22 |
| Synonyms: | 2-Methyl-5-pyridinecarbothioamide;6-Methylpyridine-3-carbothioamide; |
| Density: | 1.212 g/cm3 |
| Melting Point: | 193ºC |
| Boiling Point: | 274.1 °C at 760 mmHg |
| Flash Point: | 119.6 °C |
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Specification
This chemical is called 3-Pyridinecarbothioamide, 6-methyl-, and its systematic name is 6-methylpyridine-3-carbothioamide. With the molecular formula of C7H8N2S, its molecular weight is 152.22. The CAS registry number of this chemical is 175277-57-3. Additionally, its product categories are Thioamide; Pyridines.
Other characteristics of the 3-Pyridinecarbothioamide, 6-methyl- can be summarised as followings: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 4.13; (6)ACD/BCF (pH 7.4): 4.24; (7)ACD/KOC (pH 5.5): 95.42; (8)ACD/KOC (pH 7.4): 97.82; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 48.22 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 45.35 cm3; (15)Molar Volume: 125.5 cm3; (16)Polarizability: 17.98×10-24cm3; (17)Surface Tension: 64 dyne/cm; (18)Density: 1.212 g/cm3; (19)Flash Point: 119.6 °C; (20)Enthalpy of Vaporization: 51.25 kJ/mol; (21)Boiling Point: 274.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00552 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: S=C(c1cnc(cc1)C)N
2.InChI: InChI=1/C7H8N2S/c1-5-2-3-6(4-9-5)7(8)10/h2-4H,1H3,(H2,8,10)
3.InChIKey: VBHUDUMOCHYQRM-UHFFFAOYAP