2-Acetyl-5-cyanothiophene (88653-55-8)

The CAS register number of 2-Acetyl-5-cyanothiophene is 88653-55-8. It also can be called as 2-Thiophenecarbonitrile,5-acetyl- and the IUPAC name about this chemical is 5-acetylthiophene-2-carbonitrile. It belongs to the following product categories, such as Acetylgroup, Heterocycles, Thiophenes & Benzothiophenes and so on.

Physical properties about 2-Acetyl-5-cyanothiophene are: (1)ACD/LogP: 0.69; (2)ACD/LogD (pH 5.5): 0.69; (3)ACD/LogD (pH 7.4): 0.69; (4)ACD/BCF (pH 5.5): 1.95; (5)ACD/BCF (pH 7.4): 1.95; (6)ACD/KOC (pH 5.5): 56.19; (7)ACD/KOC (pH 7.4): 56.19; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 69.1Ų; (11)Index of Refraction: 1.561; (12)Molar Refractivity: 38.83 cm³; (13)Molar Volume: 119.8 cm³; (14)Polarizability: 15.39x10^-24cm³; (15)Surface Tension: 51.7 dyne/cm; (16)Enthalpy of Vaporization: 54.16 kJ/mol; (17)Boiling Point: 301.4 °C at 760 mmHg; (18)Vapour Pressure: 0.00105 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you also do not breathe vapour.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1sc(C(=O)C)cc1
(2)InChI: InChI=1/C7H5NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3H,1H3
(3)InChIKey: VSHPLUBHIUFLES-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H5NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3H,1H3
(5)Std. InChIKey: VSHPLUBHIUFLES-UHFFFAOYSA-N