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50790-29-9

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Basic Information
CAS No.: 50790-29-9
Name: 2-(Methanesulfonylamino)benzonitrile
Article Data: 7
Cas Database
Molecular Structure:
Molecular Structure of 50790-29-9 (2-(Methanesulfonylamino)benzonitrile)
Formula: C8H8N2O2S
Molecular Weight: 196.23
Synonyms: 2-(Methanesulfonylamino)benzonitrile;
Density: 1.36 g/cm3
Melting Point: 166 °C(Solv: water (7732-18-5); methanol (67-56-1))
Boiling Point: 366.1 °C at 760 mmHg
Flash Point: 175.2 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 78.34000
LogP: 2.08358
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Specification

The Methanesulfonamide,N-(2-cyanophenyl)-, with the CAS registry number of 50790-29-9, is also known as 2-(Methanesulfonylamino)benzonitrile. It belongs to the product categories of Boron, Nitrile, Thio, TM-Cpds. Its molecular formula is C8H8N2O2S and molecular weight is 196.226320. What's more, its IUPAC name is N-(2-Cyanophenyl)methanesulfonamide.

Physical properties about the Methanesulfonamide,N-(2-cyanophenyl)- are: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 69.55 Å2; (7)Index of Refraction: 1.587; (8)Molar Refractivity: 48.41 cm3; (9)Molar Volume: 144 cm3; (10)Surface Tension: 59 dyne/cm; (11)Density: 1.36 g/cm3; (12)Flash Point: 175.2 °C; (13)Enthalpy of Vaporization: 61.25 kJ/mol; (14)Boiling Point: 366.1 °C at 760 mmHg; (15)Vapour Pressure: 1.5E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(Nc1ccccc1C#N)C
(2) InChI: InChI=1/C8H8N2O2S/c1-13(11,12)10-8-5-3-2-4-7(8)6-9/h2-5,10H,1H3
(3) InChIKey: RKJYYYHFUOVDAD-UHFFFAOYAC