6-(Trifluoromethyl)pyridine-2-thiol supplier

Name
PYRIDINES
EINECS
CAS No. 121307-80-0
Article Data2
CAS DataBase
Density 1.391 g/cm³
Solubility
Melting Point
Formula C₆H₄F₃NS
Boiling Point 187.3 °C at 760 mmHg
Molecular Weight 179.166
Flash Point 67.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms PYRIDINES;3-Fluoro-5-nitro-2-hydroxypyridine;3-Fluoro-5-nitropyridin-2-ol;5-Nitropyridin-2-ylboronic acid;6-(4-Methoxybenzylcarbamoyl)pyridine-3-boronic acid;N-4-Methoxybenzyl 5-borono-2-pyridinecarboxamide;Methyl 2-hydroxy-3-nitro-5-pyridinecarboxylate;Methyl 6-hydroxy-5-nitronicotinate
PSA 51.69000
LogP 2.38910

6-(Trifluoromethyl)pyridine-2-thiol Specification

This chemical is called 2(1H)-Pyridinethione, 6-(trifluoromethyl)-, and its systematic name is 6-(trifluoromethyl)pyridine-2-thiol. With the molecular formula of C₆H₄F₃NS, its molecular weight is 128.01. The CAS registry number of this chemical is 121307-80-0.

Other characteristics of the 2(1H)-Pyridinethione, 6-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.48; (4)ACD/LogD (pH 7.4): ; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 51.69 Å²; (9)Index of Refraction: 1.494; (10)Molar Refractivity: 37.49 cm³; (11)Molar Volume: 128.7 cm³; (12)Polarizability: 14.86×10^-24cm³; (13)Surface Tension: 32.3 dyne/cm; (14)Density: 1.391 g/cm³; (15)Flash Point: 67.1 °C; (16)Enthalpy of Vaporization: 40.61 kJ/mol; (17)Boiling Point: 187.3 °C at 760 mmHg; (18)Vapour Pressure: 0.875 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c1cccc(S)n1
2.InChI: InChI=1/C6H4F3NS/c7-6(8,9)4-2-1-3-5(11)10-4/h1-3H,(H,10,11)
3.InChIKey: VIBIZDLLHPQBRV-UHFFFAOYAO

Product Name

PYRIDINES

6-(Trifluoromethyl)pyridine-2-thiol Specification

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