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CAS No.: | 17452-26-5 |
---|---|
Name: | 1-(3-Fluorophenyl)imidazoline-2-thione |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H7FN2S |
Molecular Weight: | 194.23 |
Synonyms: | 3-(3-Fluorophenyl)-1H-imidazole-2-thione;1-(3-Fluorophenyl)-1,3-dihydro-2H-imidazole-2-thione;2H-Imidazole-2-thione, 1-(3-fluorophenyl)-1,3-dihydro-; |
Density: | 1.4 g/cm3 |
Melting Point: | 162 °C |
Boiling Point: | 289.5 °C at 760 mmHg |
Flash Point: | 128.9 °C |
Hazard Symbols: | Xi |
PSA: | 52.81000 |
LogP: | 2.67400 |
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The 1-(3-Fluorophenyl)imidazoline-2-thione, with the CAS registry number 17452-26-5, is also known as 1-(3-Fluorophenyl)-1,3-dihydro-2H-imidazole-2-thione. It belongs to the product category of Imidazol & Benzimidazole. This chemical's molecular formula is C9H7FN2S and molecular weight is 194.23. What's more, its systematic name is 3-(3-fluorophenyl)-1H-imidazole-2-thione.
Physical properties of 1-(3-Fluorophenyl)imidazoline-2-thione are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.28; (6)ACD/BCF (pH 7.4): 13.28; (7)ACD/KOC (pH 5.5): 221.61; (8)ACD/KOC (pH 7.4): 221.59; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.57 Å2; (13)Index of Refraction: 1.696; (14)Molar Refractivity: 53.26 cm3; (15)Molar Volume: 138.3 cm3; (16)Polarizability: 21.11×10-24cm3; (17)Surface Tension: 63.4 dyne/cm; (18)Density: 1.4 g/cm3; (19)Flash Point: 128.9 °C; (20)Enthalpy of Vaporization: 52.88 kJ/mol; (21)Boiling Point: 289.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00219 mmHg at 25°C.
Uses of 1-(3-Fluorophenyl)imidazoline-2-thione: it can be used to produce m-fluorophenyl-1 imidazole. It will need reagent 20% HNO3. The yield is about 20%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)F)N2C=CNC2=S
(2)InChI: InChI=1S/C9H7FN2S/c10-7-2-1-3-8(6-7)12-5-4-11-9(12)13/h1-6H,(H,11,13)
(3)InChIKey: BMCFCDCBHCVAIC-UHFFFAOYSA-N