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| CAS No.: | 81363-76-0 |
|---|---|
| Name: | Isopropylsulfonamide |
| Article Data: | 24 |
| Molecular Structure: | |
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| Formula: | C3H9NO2S |
| Molecular Weight: | 123.176 |
| Synonyms: | 1-Methylethylsulfonamide;2-Sulfamylpropane;Isopropanesulfonamide;Isopropylsulfonamide;N,N-Dimethyl-methyl sulfonamide; |
| Density: | 1.194 g/cm3 |
| Melting Point: | 61-65 °C(Solv: chloroform (67-66-3); carbon tetrachloride (56-23-5)) |
| Boiling Point: | 216.5 °C at 760 mmHg |
| Flash Point: | 84.7 °C |
| PSA: | 68.54000 |
| LogP: | 1.46440 |
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Specification
This chemical is called Isopropylsulfonamide, and its systematic name is Propane-2-sulfonamide. With the molecular formula of C3H9NO2S, its molecular weight is 123.17. The CAS registry number of this chemical is 81363-76-0, and its product categories are Chiral Chemicals.
Other characteristics of the Isopropylsulfonamide can be summarised as followings: (1)ACD/LogP: -0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.41; (4)ACD/LogD (pH 7.4): -0.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.29; (8)ACD/KOC (pH 7.4): 14.28; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.76 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 28.34 cm3; (15)Molar Volume: 103.1 cm3; (16)Polarizability: 11.23×10-24cm3; (17)Surface Tension: 41 dyne/cm; (18)Density: 1.194 g/cm3; (19)Flash Point: 84.7 °C; (20)Enthalpy of Vaporization: 45.28 kJ/mol; (21)Boiling Point: 216.5 °C at 760 mmHg; (22)Vapour Pressure: 0.14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(N)C(C)C
2. InChI: InChI=1/C3H9NO2S/c1-3(2)7(4,5)6/h3H,1-2H3,(H2,4,5,6)
3. InChIKey: SJMCLWCCNYAWRQ-UHFFFAOYAH
4.Std. InChI: InChI=1S/C3H9NO2S/c1-3(2)7(4,5)6/h3H,1-2H3,(H2,4,5,6)
5.Std. InChIKey: SJMCLWCCNYAWRQ-UHFFFAOYSA-N