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CAS No.: | 669008-26-8 |
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Name: | Cyclopropanesulfonamide, 1-methyl- (9CI) |
Article Data: | 36 |
Molecular Structure: | |
Formula: | C4H9NO2S |
Molecular Weight: | 135.187 |
Synonyms: | Cyclopropanesulfonamide, 1-methyl- (9CI);1-methylcyclopropanesulfonamide; |
Density: | 1.348 g/cm3 |
Melting Point: | 103-104 °C(Solv: hexane (110-54-3)) |
Boiling Point: | 246.4 °C at 760 mmHg |
Flash Point: | 102.82 °C |
PSA: | 68.54000 |
LogP: | 1.60850 |
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The 1-Methylcyclopropane-1-sulfonamide, with the CAS registry number 669008-26-8, has the systematic name of 1-methylcyclopropanesulfonamide. It belongs to the product category of Sulfonamide. And the molecular formula of the chemical is C4H9NO2S.
The characteristics of 1-Methylcyclopropane-1-sulfonamide are as followings: (1)ACD/LogP: -0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 15; (6)ACD/KOC (pH 7.4): 15; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 68.54 Å2; (11)Index of Refraction: 1.53; (12)Molar Refractivity: 30.968 cm3; (13)Molar Volume: 100.273 cm3; (14)Polarizability: 12.277×10-24cm3; (15)Surface Tension: 49.702 dyne/cm; (16)Density: 1.348 g/cm3; (17)Flash Point: 102.82 °C; (18)Enthalpy of Vaporization: 48.352 kJ/mol; (19)Boiling Point: 246.4 °C at 760 mmHg; (20)Vapour Pressure: 0.027 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: NS(=O)(=O)C1(C)CC1
(2)InChI: InChI=1/C4H9NO2S/c1-4(2-3-4)8(5,6)7/h2-3H2,1H3,(H2,5,6,7)
(3)InChIKey: ATJVVVCODTXRAE-UHFFFAOYAI