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CAS No.: | 34310-29-7 |
---|---|
Name: | N-MethyltrifluoroMethanesulfonaMide |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C2H4F3NO2S |
Molecular Weight: | 163.12 |
Synonyms: | Methanesulfonamide, 1,1,1-trifluoro-N-methyl-; |
Density: | 1.5±0.1 g/cm3 |
Boiling Point: | 119.6±50.0 °C at 760 mmHg |
Flash Point: | 26.1±30.1 °C |
PSA: | 54.55000 |
LogP: | 1.52710 |
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1,1,1-Trifluoro-N-methylmethanesulfonamide is an organic compound with the formula C2H4F3NO2S, and its systematic name is the same with the product name. With the CAS registry number 34310-29-7, it is also named as Methanesulfonamide, 1,1,1-trifluoro-N-methyl-. In addition, the molecular weight is 163.12.
Physical properties of 1,1,1-Trifluoro-N-methylmethanesulfonamide are: (1)ACD/LogP: 0.57±0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.57; (4)ACD/LogD (pH 7.4): 0.35; (5)ACD/BCF (pH 5.5): 1.59; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 48.32; (8)ACD/KOC (pH 7.4): 29.01; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.55 Å2; (13)Index of Refraction: 1.366; (14)Molar Refractivity: 24.1±0.4 cm3; (15)Molar Volume: 107.8±3.0 cm3; (16)Polarizability: 9.6±0.5×10-24cm3; (17)Surface Tension: 27.3±3.0 dyne/cm; (18)Density: 1.5±0.1 g/cm3; (19)Flash Point: 26.1±30.1 °C; (20)Enthalpy of Vaporization: 35.8±3.0 kJ/mol; (21)Boiling Point: 119.6±50.0 °C at 760 mmHg; (22)Vapour Pressure: 15.8±0.2 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CNS(=O)(=O)C(F)(F)F
(2)Std. InChI: InChI=1S/C2H4F3NO2S/c1-6-9(7,8)2(3,4)5/h6H,1H3
(3)Std. InChIKey: IJOCNCZJDBTBIP-UHFFFAOYSA-N