2-Thiophenecarboxamide,5-bromo- (76371-66-9)

The 3-Bromothiophene-2-carboxamide with the cas number 76371-66-9 is also called 2-Thiophenecarboxamide,5-bromo-. Its molecular formula is C₅H₄BrNOS. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the chemical are: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.46; (4)ACD/LogD (pH 7.4): 0.46; (5)ACD/BCF (pH 5.5): 1.32; (6)ACD/BCF (pH 7.4): 1.32; (7)ACD/KOC (pH 5.5): 42.39; (8)ACD/KOC (pH 7.4): 42.39; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 48.55 Å²; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 41.25 cm³; (15)Molar Volume: 113.7 cm³; (16)Polarizability: 16.35×10^-24cm³; (17)Surface Tension: 58.9 dyne/cm; (18)Enthalpy of Vaporization: 55.95 kJ/mol; (19)Vapour Pressure: 0.000371 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)c1sccc1Br
(2)InChI: InChI=1/C5H4BrNOS/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H2,7,8)
(3)InChIKey: KWXUWNXTRUZHNQ-UHFFFAOYAX