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1-(2-Trifluoromethylphenyl)imidazoline-2-thione

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Name

1-(2-Trifluoromethylphenyl)imidazoline-2-thione

EINECS N/A
CAS No. 25372-17-2 Density 1.476 g/cm3
PSA 52.81000 LogP 3.55370
Solubility N/A Melting Point 236 °C
Formula C10H7F3N2S Boiling Point 285 °C at 760 mmHg
Molecular Weight 244.03 Flash Point 126.2 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 25372-17-2 (1-(2-Trifluoromethylphenyl)imidazoline-2-thione) Hazard Symbols IrritantXi
Synonyms

Imidazole-2-thiol,1-(a,a,a-trifluoro-o-tolyl)- (8CI);

 

1-(2-Trifluoromethylphenyl)imidazoline-2-thione Specification

This chemical is called 2H-Imidazole-2-thione, 1,3-dihydro-1-[2-(trifluoromethyl)phenyl]-, and its systematic name is 1-[2-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazole-2-thione. With the molecular formula of C10H7F3N2S, its molecular weight is 244.24. The CAS registry number of this chemical is 25372-17-2. Additionally, its product categories are Imidazol & Benzimidazole.

Other characteristics of the 2H-Imidazole-2-thione, 1,3-dihydro-1-[2-(trifluoromethyl)phenyl]- can be summarised as followings: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 32.99; (6)ACD/BCF (pH 7.4): 32.99; (7)ACD/KOC (pH 5.5): 425.07; (8)ACD/KOC (pH 7.4): 425.03; (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: 1.62; (14)Molar Refractivity: 58.14 cm3; (15)Molar Volume: 165.4 cm3; (16)Polarizability: 23.05×10-24cm3; (17)Surface Tension: 52.4 dyne/cm; (18)Density: 1.47 g/cm3; (19)Flash Point: 126.2 °C; (20)Enthalpy of Vaporization: 52.41 kJ/mol; (21)Boiling Point: 285 °C at 760 mmHg; (22)Vapour Pressure: 0.00287 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: S=C2N(c1c(cccc1)C(F)(F)F)\C=C/N2
2.InChI: InChI=1/C10H7F3N2S/c11-10(12,13)7-3-1-2-4-8(7)15-6-5-14-9(15)16/h1-6H,(H,14,16)
3.InChIKey: SHEVDRLIPIJLJW-UHFFFAOYAE

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