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CAS No.: | 7341-87-9 |
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Name: | 1-METHYL-5-(TRIFLUOROMETHYL)-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOLE-2-THIONE |
Molecular Structure: | |
Formula: | C9H7F3N2S |
Molecular Weight: | 232.23 |
Synonyms: | 2-Benzimidazolethiol,1-methyl-5-(trifluoromethyl)- (7CI,8CI); |
Density: | 1.49 g/cm3 |
Boiling Point: | 267.4 °C at 760 mmHg |
Flash Point: | 115.5 °C |
PSA: | 52.81000 |
LogP: | 3.25470 |
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This chemical is called 2H-Benzimidazole-2-thione, 1,3-dihydro-1-methyl-5-(trifluoromethyl)-, and its systematic name is 1-methyl-5-(trifluoromethyl)-1,3-dihydro-2H-benzimidazole-2-thione. With the molecular formula of C9H7F3N2S, its molecular weight is 232.23. The CAS registry number of this chemical is 7341-87-9.
Other characteristics of the 2H-Benzimidazole-2-thione, 1,3-dihydro-1-methyl-5-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 80.65; (6)ACD/BCF (pH 7.4): 80.6; (7)ACD/KOC (pH 5.5): 806.07; (8)ACD/KOC (pH 7.4): 805.49; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.57 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 53.59 cm3; (15)Molar Volume: 155.3 cm3; (16)Polarizability: 21.24×10-24cm3; (17)Surface Tension: 51.2 dyne/cm; (18)Density: 1.49 g/cm3; (19)Flash Point: 115.5 °C; (20)Enthalpy of Vaporization: 50.54 kJ/mol; (21)Boiling Point: 267.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00817 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c1cc2c(cc1)N(C(=S)N2)C
2.InChI: InChI=1/C9H7F3N2S/c1-14-7-3-2-5(9(10,11)12)4-6(7)13-8(14)15/h2-4H,1H3,(H,13,15)
3.InChIKey: VTJJMKSHOXXMIK-UHFFFAOYAG