Benzenamine,5-(1,1-dimethylethyl)-2-[(2-ethylhexyl)thio]- (676352-86-6)

The 3-tert-Butyl-6-[(2-ethylhexyl)thio]aniline with the CAS number 676352-86-6 is also called Benzenamine,5-(1,1-dimethylethyl)-2-[(2-ethylhexyl)thio]-. The systematic name is 5-tert-butyl-2-[(2-ethylhexyl)sulfanyl]aniline. Its molecular formula is C₁₈H₃₁NS.

The properties of the chemical are: (1)ACD/LogP: 6.25; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 43798; (6)ACD/BCF (pH 7.4): 44871; (7)ACD/KOC (pH 5.5): 72596; (8)ACD/KOC (pH 7.4): 74374; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 51.32 Å²; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 93.925 cm³; (15)Molar Volume: 304.543 cm³; (16)Polarizability: 37.235×10^-24cm³; (17)Surface Tension: 38.225 dyne/cm; (18)Enthalpy of Vaporization: 64.096 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1ccc(cc1N)C(C)(C)C)CC(CC)CCCC
(2)InChI: InChI=1/C18H31NS/c1-6-8-9-14(7-2)13-20-17-11-10-15(12-16(17)19)18(3,4)5/h10-12,14H,6-9,13,19H2,1-5H3
(3)InChIKey: AVLSDPRGRUUKBD-UHFFFAOYAJ