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. : | 14294-11-2 | MDL No. : | MFCD00041227 |
Formula : | C6H7N3S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | SLUHLANJIVXTRQ-UHFFFAOYSA-N |
M.W : | 153.20 | Pubchem ID : | 1490491 |
Synonyms : |
|
Num. heavy atoms : | 10 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 44.04 |
TPSA : | 83.03 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) : | -6.78 cm/s |
Log Po/w (iLOGP) : | 1.42 |
Log Po/w (XLOGP3) : | 0.64 |
Log Po/w (WLOGP) : | 0.55 |
Log Po/w (MLOGP) : | -0.03 |
Log Po/w (SILICOS-IT) : | 1.18 |
Consensus Log Po/w : | 0.75 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.51 |
Solubility : | 4.79 mg/ml ; 0.0313 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.96 |
Solubility : | 1.68 mg/ml ; 0.011 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -1.85 |
Solubility : | 2.15 mg/ml ; 0.014 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.99 |
Signal Word: | Danger | Class: | 6.1 |
Precautionary Statements: | P501-P270-P264-P301+P310+P330-P405 | UN#: | 2811 |
Hazard Statements: | H301 | Packing Group: | Ⅲ |
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 |
---|---|---|
1.2 g | at 20℃; for 0.333333 h; Reflux | A suspension of N-(pyridin-2-ylcarbamothioyl)benzamide (2.3 g, 8.95 mmol) in10percent aq. NaOH solution (10.4 mL, 26 mmol) was stirred at room temperature for 10 mm, and was then heated to reflux for an additional 10 mm. The mixture was cooled to 0 oC, diluted in water (100 mL) and extracted with EtOAc (3 x 150 mL). The combined organic extracts were dried over anhydrous Mg504, filtered and concentrated to afford the crude title compound(1.2 g). MS (ES) m/z (M+H). |
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