3-Pyridinecarbothioamide, 6-methyl- supplier

Name
6-METHYLPYRIDINE-3-CARBOTHIOAMIDE
EINECS
CAS No. 175277-57-3
Density 1.212 g/cm³
Solubility
Melting Point 193ºC
Formula C₇H₈N₂S
Boiling Point 274.1 °C at 760 mmHg
Molecular Weight 152.22
Flash Point 119.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methyl-5-pyridinecarbothioamide;6-Methylpyridine-3-carbothioamide;
PSA
LogP

3-Pyridinecarbothioamide, 6-methyl- 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

Product Name

6-METHYLPYRIDINE-3-CARBOTHIOAMIDE

3-Pyridinecarbothioamide, 6-methyl- Specification

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