2-Thiophenecarbonitrile,5-iodo- (18945-81-8)

The 5-Iodo-2-thiophenecarbonitrile with the CAS number 18945-81-8 is also called 2-Thiophenecarbonitrile,5-iodo-. The systematic name is 5-iodothiophene-2-carbonitrile. Its molecular formula is C₅H₂INS. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 5-Iodo-2-thiophenecarbonitrile are: (1)ACD/LogP: 4.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 37; (6)ACD/BCF (pH 7.4): 37; (7)ACD/KOC (pH 5.5): 460; (8)ACD/KOC (pH 7.4): 460; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 52.03Ų; (13)Index of Refraction: 1.701; (14)Molar Refractivity: 42.384 cm³; (15)Molar Volume: 109.552 cm³; (16)Polarizability: 16.802×10^-24cm³; (17)Surface Tension: 65.653 dyne/cm; (18)Enthalpy of Vaporization: 50.067 kJ/mol; (19)Vapour Pressure: 0.011 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1sc(I)cc1
(2)InChI: InChI=1/C5H2INS/c6-5-2-1-4(3-7)8-5/h1-2H
(3)InChIKey: DCTRQPYCGCNWBN-UHFFFAOYAK