2H-Imidazole-2-thione,1,3-dihydro-1-[3-(trifluoromethyl)phenyl]- supplier

Name
1-(3-TRIFLUOROMETHYLPHENYL)IMIDAZOLINE-2-THIONE
EINECS
CAS No. 17452-08-3
Density 1.47 g/cm³
Solubility
Melting Point 157 °C
Formula C₁₀H₇F₃N₂S
Boiling Point 294 °C at 760 mmHg
Molecular Weight 244.24
Flash Point 131.6 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant/Stench;
Molecular Structure
Hazard Symbols Xi
Synonyms Imidazole-2-thiol,1-(a,a,a-trifluoro-m-tolyl)- (8CI);1-[3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazole-2-thione;1-[3-(Trifluoromethyl)phenyl]-1H-imidazole-2-thiol;1H-imidazole-2-thiol, 1-[3-(trifluoromethyl)phenyl]-;2H-Imidazole-2-thione, 1,3-dihydro-1-[3-(trifluoromethyl)phenyl]-;
PSA 52.81000
LogP 3.55370

2H-Imidazole-2-thione,1,3-dihydro-1-[3-(trifluoromethyl)phenyl]- Specification

The 2H-Imidazole-2-thione,1,3-dihydro-1-[3-(trifluoromethyl)phenyl]-, with the CAS registry number 17452-08-3, has the systematic name of 1-[3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazole-2-thione. It is a kind of stench chemical which belongs to the product categories: Imidazol & Benzimidazole. And the molecular formula of the chemical is C₁₀H₇F₃N₂S.

The characteristics of 2H-Imidazole-2-thione,1,3-dihydro-1-[3-(trifluoromethyl)phenyl]- are 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: 131.6 °C; (20)Enthalpy of Vaporization: 53.37 kJ/mol; (21)Boiling Point: 294 °C at 760 mmHg; (22)Vapour Pressure: 0.00166 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S=C2N(c1cccc(c1)C(F)(F)F)\C=C/N2
(2)InChI: InChI=1/C10H7F3N2S/c11-10(12,13)7-2-1-3-8(6-7)15-5-4-14-9(15)16/h1-6H,(H,14,16)
(3)InChIKey: FQMZFHKIYYCCAX-UHFFFAOYAQ

Product Name

1-(3-TRIFLUOROMETHYLPHENYL)IMIDAZOLINE-2-THIONE

2H-Imidazole-2-thione,1,3-dihydro-1-[3-(trifluoromethyl)phenyl]- Specification

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