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. : | 19351-18-9 | MDL No. : | MFCD00014488 |
Formula : | C5H11NS | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | SNPQRYOQWLOTFA-UHFFFAOYSA-N |
M.W : | 117.21 | Pubchem ID : | 88015 |
Synonyms : |
|
Num. heavy atoms : | 7 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 1.0 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 38.38 |
TPSA : | 37.33 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.35 cm/s |
Log Po/w (iLOGP) : | 1.77 |
Log Po/w (XLOGP3) : | 0.93 |
Log Po/w (WLOGP) : | 0.68 |
Log Po/w (MLOGP) : | 0.76 |
Log Po/w (SILICOS-IT) : | 1.74 |
Consensus Log Po/w : | 1.17 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.15 |
Solubility : | 8.25 mg/ml ; 0.0704 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.3 |
Solubility : | 5.87 mg/ml ; 0.0501 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -1.58 |
Solubility : | 3.07 mg/ml ; 0.0262 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.04 |
Signal Word: | Danger | Class: | 3 |
Precautionary Statements: | P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P303+P361+P353-P332+P313-P362-P403+P235 | UN#: | 1993 |
Hazard Statements: | H315-H319-H225 | 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 |
---|---|---|
348 kg | With sodium hydroxide In ethanol; cyclohexane at 78℃; for 10 h; Large scale | A process for the preparation of 2,2-dimethyltetrahydrothiazole comprising the steps of:1) Refining: 450 kg of 95percent cysteamine hydrochloride and 450 kg of ethanol were injected at a 1: 1 ratioInto the reactor, cooling crystallization, rejection filter solid phase for pure cysteamine hydrochloride 405kg, obtainedLiquid phase distillation recovery of ethanol 425kg;2) Neutralization: 1350 kg of cyclohexane, 405 kg of pure cysteamine hydrochloride and 430 kg of acetoneInto the reactor, adding liquid caustic soda 405kg to neutral; which liquid alkali accounted for in water285 kg, NaOH 120 kg;3) azeotropic dehydration: the reactor temperature rose to 78 , reflux azeotropic dehydration, anti-heatShould be 10 hours;4) filtration: the end of the reaction, cooling to 33 , 182kg filter salt;5) Distillation: The filtrate was distilled to recover 1225 kg of cyclohexane and 230 kg of acetone;Acetone solvent distillation are carried out in the reactor; distillation and condensation are water-cooled plus frozen saltWater freezing;6) Rectification: distillation of the remaining crude oil distillation column distillation products 2,2 - dimethyl tetrahydrothiophene348 kg. |
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