4815-28-5 Peptides Steroids 2-Amino-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxamide

This chemical is called 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, and it can also be named as Benzo[b]thiophene-3-carboxamide, 2-amino-4,5,6,7-tetrahydro-. With the molecular formula of C₉H₁₂N₂OS, its molecular weight is 196.27. The CAS registry number of this chemical is 4815-28-5. Additionally, its product categories are Sulphur Derivatives.

Other characteristics of the 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide can be summarised as followings: (1) ACD/LogP: 1.90; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.57; (4) ACD/LogD (pH 7.4): 2.57; (5) ACD/BCF (pH 5.5): 52.62; (6) ACD/BCF (pH 7.4): 52.62; (7) ACD/KOC (pH 5.5): 593.74; (8) ACD/KOC (pH 7.4): 593.8; (9) #H bond acceptors: 3; (10) #H bond donors: 4; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 51.79 Ų; (13) Index of Refraction: 1.666; (14) Molar Refractivity: 54.58 cm³; (15) Molar Volume: 146.7 cm³; (16) Polarizability: 21.64×10^-24cm³; (17) Surface Tension: 65.2 dyne/cm; (18) Density: 1.337 g/cm³; (19) Flash Point: 154.9 °C; (20) Enthalpy of Vaporization: 57.53 kJ/mol; (21) Boiling Point: 332.5 °C at 760 mmHg; (22) Vapour Pressure: 0.000145 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(c1c2c(sc1N)CCCC2)N
2. InChI: InChI=1/C9H12N2OS/c10-8(12)7-5-3-1-2-4-6(5)13-9(7)11/h1-4,11H2,(H2,10,12)
3. InChIKey: FFAKFORHXDNYEN-UHFFFAOYAO