5-BROMOTHIOPHENE-2-CARBONITRILE

The 2-Thiophenecarbonitrile,5-bromo-, with the CAS registry number of 2160-62-5, is also known as 5-Brono-thiophene-2-carbonitrile. It belongs to the product categories of Halogenated Heterocycles; Heterocyclic Building Blocks; Thiophenes; Thiophenes Building Blocks. This chemical's molecular formula is C₅H₂BrNS and molecular weight is 188.05. What's more, its IUPAC name is 5-Bromothiophene-2-carbonitrile.

Physical properties about the 2-Thiophenecarbonitrile,5-bromo- are: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 14.56; (6)ACD/BCF (pH 7.4): 14.56; (7)ACD/KOC (pH 5.5): 236.67; (8)ACD/KOC (pH 7.4): 236.67; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 52.03 Å²; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 37.18 cm³; (15)Molar Volume: 102.9 cm³; (16)Surface Tension: 62 dyne/cm; (17)Density: 1.82 g/cm³; (18)Flash Point: 90.6 °C; (19)Enthalpy of Vaporization: 46.27 kJ/mol; (20)Boiling Point: 226.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0829 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. It is harmful by inhalation, in contact with skin and if swallowed. In addition, during using it, wear suitable protective clothing, gloves.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1sc(Br)cc1
(2) InChI: InChI=1/C5H2BrNS/c6-5-2-1-4(3-7)8-5/h1-2H
(3) InChIKey: YVVHCBNJWHPMCQ-UHFFFAOYAV