1-(3-Fluorophenyl)imidazoline-2-thione supplier

Name
1-(3-Fluorophenyl)imidazoline-2-thione
EINECS
CAS No. 17452-26-5
Article Data2
CAS DataBase
Density 1.4 g/cm³
Solubility
Melting Point 162 °C
Formula C₉H₇FN₂S
Boiling Point 289.5 °C at 760 mmHg
Molecular Weight 194.23
Flash Point 128.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
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-;
PSA 52.81000
LogP 2.67400

1-(3-Fluorophenyl)imidazoline-2-thione Specification

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%.

1-(3-Fluorophenyl)imidazoline-2-thione can be used to produce m-fluorophenyl-1 imidazole

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

Product Name

1-(3-Fluorophenyl)imidazoline-2-thione

1-(3-Fluorophenyl)imidazoline-2-thione Specification

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