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71248-12-9

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Basic Information
CAS No.: 71248-12-9
Name: 2-(3-fluorophenyl)tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dithione
Molecular Structure:
Molecular Structure of 71248-12-9 (2-(3-fluorophenyl)tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dithione)
Formula: C12H12FN3S2
Molecular Weight: 281.37
Density: 1.51 g/cm3
Boiling Point: 362.2 °C at 760 mmHg
Flash Point: 172.9 °C
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  • 1H-[1,2,4]Triazolo[1,2-a]pyridazine-1,3(2H)-dithione,2-(3-fluorophenyl)tetrahydro-

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  • 1H-[1,2,4]Triazolo[1,2-a]pyridazine-1,3(2H)-dithione,2-(3-fluorophenyl)tetrahydro-

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    1H-[1,2,4]Triazolo[1,2-a]pyridazine-1,3(2H)-dithione,2-(3-fluorophenyl)tetrahydro-

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Specification

This chemical is called 2-(3-Fluorophenyl)-5,6,7,8-tetrahydro-(1,2,4)triazolo(1,2-a)pyridazine-1,3-dithione, and its systematic name is 2-(3-fluorophenyl)tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dithione. With the molecular formula of C12H12FN3S2, its molecular weight is 281.37. The CAS registry number of this chemical is 71248-12-9.

Other characteristics of the 2-(3-Fluorophenyl)-5,6,7,8-tetrahydro-(1,2,4)triazolo(1,2-a)pyridazine-1,3-dithione can be summarised as followings: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 1.06; (5)ACD/BCF (pH 5.5): 3.73; (6)ACD/BCF (pH 7.4): 3.73; (7)ACD/KOC (pH 5.5): 89.34; (8)ACD/KOC (pH 7.4): 89.34; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 73.9 Å2; (13)Index of Refraction: 1.759; (14)Molar Refractivity: 76.43 cm3; (15)Molar Volume: 185.7 cm3; (16)Polarizability: 30.3×10-24cm3; (17)Surface Tension: 85.3 dyne/cm; (18)Density: 1.51 g/cm3; (19)Flash Point: 172.9 °C; (20)Enthalpy of Vaporization: 60.81 kJ/mol; (21)Boiling Point: 362.2 °C at 760 mmHg; (22)Vapour Pressure: 1.96E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Fc3cccc(N1C(=S)N2N(C1=S)CCCC2)c3
2.InChI: InChI=1/C12H12FN3S2/c13-9-4-3-5-10(8-9)16-11(17)14-6-1-2-7-15(14)12(16)18/h3-5,8H,1-2,6-7H2
3.InChIKey: YDYWDKAZHWSZPS-UHFFFAOYAN