Ethanone,1-[3-amino-5-(1,1-dimethylethyl)-2-thienyl]- (175137-06-1)

The cas register number of 2-Acetyl-3-amino-5-tert-butylthiophene is 175137-06-1. It also can be called as Ethanone,1-[3-amino-5-(1,1-dimethylethyl)-2-thienyl]- and the IUPAC Name about this chemical is 1-(3-amino-5-tert-butylthiophen-2-yl)ethanone. It belongs to the Thiophene&Benzothiophene.

Physical properties about 2-Acetyl-3-amino-5-tert-butylthiophene are: (1)ACD/LogP: 2.90; (2)ACD/LogD (pH 5.5): 2.9; (3)ACD/LogD (pH 7.4): 2.9; (4)ACD/BCF (pH 5.5): 93.55; (5)ACD/BCF (pH 7.4): 93.59; (6)ACD/KOC (pH 5.5): 896.29; (7)ACD/KOC (pH 7.4): 896.62; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 48.55Ų; (12)Index of Refraction: 1.551; (13)Molar Refractivity: 57.28 cm³; (14)Molar Volume: 179.4 cm³; (15)Polarizability: 22.71x10^-24cm³; (16)Surface Tension: 39.3 dyne/cm; (17)Enthalpy of Vaporization: 57.19 kJ/mol; (18)Boiling Point: 329.4 °C at 760 mmHg; (19)Vapour Pressure: 0.000178 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1sc(cc1N)C(C)(C)C)C
(2)InChI: InChI=1/C10H15NOS/c1-6(12)9-7(11)5-8(13-9)10(2,3)4/h5H,11H2,1-4H3
(3)InChIKey: RBLSJHKIPYUAAF-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H15NOS/c1-6(12)9-7(11)5-8(13-9)10(2,3)4/h5H,11H2,1-4H3
(5)Std. InChIKey: RBLSJHKIPYUAAF-UHFFFAOYSA-N