There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.
Type | HazMat fee for 500 gram (Estimated) |
Excepted Quantity | USD 0.00 |
Limited Quantity | USD 15-60 |
Inaccessible (Haz class 6.1), Domestic | USD 80+ |
Inaccessible (Haz class 6.1), International | USD 150+ |
Accessible (Haz class 3, 4, 5 or 8), Domestic | USD 100+ |
Accessible (Haz class 3, 4, 5 or 8), International | USD 200+ |
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CAS No. : | 1184-85-6 | MDL No. : | MFCD00776277 |
Formula : | C2H7NO2S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | UHNHTTIUNATJKL-UHFFFAOYSA-N |
M.W : | 109.15 | Pubchem ID : | 97632 |
Synonyms : |
|
Num. heavy atoms : | 6 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 1.0 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 23.49 |
TPSA : | 54.55 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -7.44 cm/s |
Log Po/w (iLOGP) : | 0.62 |
Log Po/w (XLOGP3) : | -0.67 |
Log Po/w (WLOGP) : | 0.25 |
Log Po/w (MLOGP) : | -1.47 |
Log Po/w (SILICOS-IT) : | -0.79 |
Consensus Log Po/w : | -0.41 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -0.03 |
Solubility : | 102.0 mg/ml ; 0.936 mol/l |
Class : | Very soluble |
Log S (Ali) : | 0.0 |
Solubility : | 109.0 mg/ml ; 0.997 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -0.57 |
Solubility : | 29.6 mg/ml ; 0.271 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.82 |
Signal Word: | Danger | Class: | 3 |
Precautionary Statements: | P501-P210-P233-P370+P378-P303+P361+P353-P403+P235 | UN#: | 1993 |
Hazard Statements: | H225 | Packing Group: | Ⅱ |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
82% | at 0 - 20℃; for 16 h; | To a stirred solution of methylamine in EtOH (8M in EtOH, 525 mL, 4.8 eq) at 0°C, methane sulfonyl chloride (100 g, 1.0 eq) was added drop wise and stirred at rt for 16 h. After completion, the solvent was distilled off under vacuum and the residue was diluted with DCM (200 mL). The solid that separated out was filtered off and filtrate was concentrated to obtain product N-methylmethanesulfonamide as orange coloured oil (82 g, percent). 1H NMR (CDC13, 400 MHz): δ 4.819 (brs, 1H), 2.929 (s, 3H), 2.789 (s, 3H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
79% | With triethylamine In dichloromethane; ethyl acetate | Example 74 Methylsulfonamide methyl ester 209: Methanesulfonyl chloride (19 μL) was added to a solution of amine 205 (58 mg, 0.23 mmol, prepared by Example 107), Et3N (97 μL) and a catalytic amount of DMAP (few crystals) in CH2Cl2 (1.0 mL) at 0° C. After 30 min the reaction mixture was warmed to room temperature and stirred for an additional 1 h. Concentration in vacuo followed by flash chromatography of the residue on silica gel (50percent hexanes in ethyl acetate) gave 61 mg (79percent) of the sulfonamide 209. 1H NMR (CDCl3, 300 MHz): δ 6.87 (t, 1H, J=2.3 Hz); 5.08 (d, 1H, J=7.5 Hz); 4.03-3.90 (m, 1H); 3.78 (s, 3H); 3.75-3.45 (m, 4H); 3.14 (s, 3H); 2.95 (dd, 1H, J=5.2, 17.3 Hz); 2.42-2.30 (m, 1H); 1.75-1.55 (m, 2H); 0.95 (t, 3H, J=7.5Hz). |
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