Specification: |
The 4-Propylthiazol-2-amine, with the CAS registry number 61764-34-9, has the systematic name of 4-propyl-1,3-thiazol-2-amine. The molecular formula of the chemical is C6H10N2S.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 2.39; (6)ACD/BCF (pH 7.4): 15.29; (7)ACD/KOC (pH 5.5): 37.46; (8)ACD/KOC (pH 7.4): 240.14; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.15 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 41.14 cm3; (15)Molar Volume: 123.7 cm3; (16)Polarizability: 16.31×10-24cm3; (17)Surface Tension: 48.6 dyne/cm; (18)Density: 1.149 g/cm3; (19)Flash Point: 108.5 °C; (20)Enthalpy of Vaporization: 49.33 kJ/mol; (21)Boiling Point: 255.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0159 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCCc1csc(N)n1
(2)InChI: InChI=1/C6H10N2S/c1-2-3-5-4-9-6(7)8-5/h4H,2-3H2,1H3,(H2,7,8)
(3)InChIKey: GYKMMCACFINSOH-UHFFFAOYAI
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