3-Pyridinecarbothioamide,6-(trifluoromethyl)- supplier

Name
6-(TRIFLUOROMETHYL)THIONICOTINAMIDE
EINECS
CAS No. 386715-34-0
Article Data1
CAS DataBase
Density 1.444 g/cm³
Solubility
Melting Point 159～161℃
Formula C₇H₅F₃N₂S
Boiling Point 259 °C at 760 mmHg
Molecular Weight 206.191
Flash Point 110.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Trifluoromethyl)pyridine-5-thiocarboxamide;
PSA 71.00000
LogP 2.43490

3-Pyridinecarbothioamide,6-(trifluoromethyl)- Specification

The 3-Pyridinecarbothioamide,6-(trifluoromethyl)-, with the CAS registry number 386715-34-0, is also known as 2-(Trifluoromethyl)pyridine-5-thiocarboxamide. This chemical's molecular formula is C₇H₅F₃N₂S and molecular weight is 206.1882. What's more, its systematic name is called 6-(Trifluoromethyl)pyridine-3-carbothioamide.

Physical properties about 3-Pyridinecarbothioamide,6-(trifluoromethyl)- are: (1)ACD/LogP: 1.64; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 10.34; (6)ACD/BCF (pH 7.4): 10.34; (7)ACD/KOC (pH 5.5): 185.27; (8)ACD/KOC (pH 7.4): 185.26; (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: 1.55; (14)Molar Refractivity: 45.51 cm³; (15)Molar Volume: 142.7 cm³; (16)Polarizability: 18.04×10^-24 cm³; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.444 g/cm³; (19)Flash Point: 110.4 °C; (20)Enthalpy of Vaporization: 49.66 kJ/mol; (21)Boiling Point: 259 °C at 760 mmHg; (22)Vapour Pressure: 0.0133 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1ncc(C(=S)N)cc1
(2) InChI: InChI=1/C7H5F3N2S/c8-7(9,10)5-2-1-4(3-12-5)6(11)13/h1-3H,(H2,11,13)
(3) InChIKey: PDBGSSVKKHIEBN-UHFFFAOYAG

Product Name

6-(TRIFLUOROMETHYL)THIONICOTINAMIDE

3-Pyridinecarbothioamide,6-(trifluoromethyl)- Specification

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