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Name |
1H-Imidazole-2-methanol,5-[(3,5-dichlorophenyl)thio]-1-(fluoromethyl)-4-(1-methylethyl)-, carbamate(ester) (9CI) |
EINECS | N/A |
CAS No. | 178979-46-9 | Density | 1.46 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H16Cl2FN3O2S | Boiling Point | 571 °C at 760 mmHg |
Molecular Weight | 392.281 | Flash Point | 299.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N/A |
This chemical is called 1H-Imidazole-2-methanol,5-[(3,5-dichlorophenyl)thio]-1-(fluoromethyl)-4-(1-methylethyl)-, carbamate(ester) (9CI), and its systematic name is {5-[(3,5-Dichlorophenyl)sulfanyl]-1-(fluoromethyl)-4-(1-methylethyl)-1H-imidazol-2-yl}methyl carbamate. With the molecular formula of C15H16Cl2FN3O2S, its molecular weight is 392.28. The CAS registry number of the chemical is 178979-46-9.
Other characteristics of 1H-Imidazole-2-methanol,5-[(3,5-dichlorophenyl)thio]-1-(fluoromethyl)-4-(1-methylethyl)-, carbamate(ester) (9CI) can be summarised as followings: (1)ACD/LogP: 4.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.03; (4)ACD/LogD (pH 7.4): 4.03; (5)ACD/BCF (pH 5.5): 675.52; (6)ACD/BCF (pH 7.4): 684.02; (7)ACD/KOC (pH 5.5): 3677.02; (8)ACD/KOC (pH 7.4): 3723.26; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 72.66 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 94.25 cm3; (15)Molar Volume: 267.4 cm3; (16)Polarizability: 37.36×10-24cm3; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.46 g/cm3; (19)Flash Point: 299.2 °C; (20)Enthalpy of Vaporization: 85.63 kJ/mol; (21)Boiling Point: 571 °C at 760 mmHg; (22)Vapour Pressure: 4.74E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(N)OCc2nc(c(Sc1cc(Cl)cc(Cl)c1)n2CF)C(C)C
2.InChI: InChI=1/C15H16Cl2FN3O2S/c1-8(2)13-14(24-11-4-9(16)3-10(17)5-11)21(7-18)12(20-13)6-23-15(19)22/h3-5,8H,6-7H2,1-2H3,(H2,19,22)
3.InChIKey: BPUWSEBIEIWYMN-UHFFFAOYAT
4.Std. InChI: InChI=1S/C15H16Cl2FN3O2S/c1-8(2)13-14(24-11-4-9(16)3-10(17)5-11)21(7-18)12(20-13)6-23-15(19)22/h3-5,8H,6-7H2,1-2H3,(H2,19,22)
5.Std. InChIKey: BPUWSEBIEIWYMN-UHFFFAOYSA-N