Basic Information | Post buying leads | Suppliers | Cas Database |
The (Ethylsulfonyl)acetonitrile, with the CAS registry number 13654-62-1, is also known as Cyanomethyl ethyl sulfone. This chemical's molecular formula is C4H7NO2S and molecular weight is 133.17. What's more, its systematic name is (Ethylsulfonyl)acetonitrile.
Physical properties of (Ethylsulfonyl)acetonitrile are: (1)ACD/LogP: -0.888; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.89; (4)ACD/LogD (pH 7.4): -0.89; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 7.83; (8)ACD/KOC (pH 7.4): 7.83; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.31 Å2; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 29.32 cm3; (15)Molar Volume: 108.978 cm3; (16)Polarizability: 11.623×10-24cm3; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.222 g/cm3; (19)Flash Point: 161.254 °C; (20)Enthalpy of Vaporization: 58.684 kJ/mol; (21)Boiling Point: 343.022 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CCS(=O)(=O)CC
(2)Std. InChI: InChI=1S/C4H7NO2S/c1-2-8(6,7)4-3-5/h2,4H2,1H3
(3)Std. InChIKey: UMCQAGDGGSOQGK-UHFFFAOYSA-N