天堂网亚洲,天天操天天搞,91视频高清,菠萝蜜视频在线观看入口,美女视频性感美女视频,95丝袜美女视频国产,超高清美女视频图片

Home Cart 0 Sign in  

[ CAS No. 1073-72-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

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+
Chemical Structure| 1073-72-9
Chemical Structure| 1073-72-9
Structure of 1073-72-9 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 1073-72-9 ]

Related Doc. of [ 1073-72-9 ]

Alternatived Products of [ 1073-72-9 ]
Product Citations

Product Details of [ 1073-72-9 ]

CAS No. :1073-72-9 MDL No. :MFCD00002351
Formula : C7H8OS Boiling Point : -
Linear Structure Formula :- InChI Key :QASBCTGZKABPKX-UHFFFAOYSA-N
M.W : 140.20 Pubchem ID :14086
Synonyms :

Calculated chemistry of [ 1073-72-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 40.19
TPSA : 45.53 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.68 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.66
Log Po/w (XLOGP3) : 2.08
Log Po/w (WLOGP) : 2.11
Log Po/w (MLOGP) : 2.07
Log Po/w (SILICOS-IT) : 1.92
Consensus Log Po/w : 1.97

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.45
Solubility : 0.501 mg/ml ; 0.00357 mol/l
Class : Soluble
Log S (Ali) : -2.67
Solubility : 0.303 mg/ml ; 0.00216 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.29
Solubility : 0.714 mg/ml ; 0.00509 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.3

Safety of [ 1073-72-9 ]

Signal Word:Danger Class:9
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501 UN#:3335
Hazard Statements:H315-H318-H335 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 1073-72-9 ]

* 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.

  • Upstream synthesis route of [ 1073-72-9 ]
  • Downstream synthetic route of [ 1073-72-9 ]

[ 1073-72-9 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 1073-72-9 ]
  • [ 6905-07-3 ]
  • [ 59729-37-2 ]
YieldReaction ConditionsOperation in experiment
60% With caesium carbonate; potassium iodide In acetonitrile at 80℃; Inert atmosphere General procedure: Method C: 2-Chloromethyl-1-methyl-5-nitro-1H-imidazol (6a) (1 g, 5.7 mmol), Cs2CO3 (6.6 g, 34.2 mmol) and KI (0.095 g, 0.57 mmol) were stirred in MeCN under inert atmosphere. p-Hydroxyphenyl methyl sulfide (0.8 g, 5.7 mmol) in MeCN was added via a pressure equalized dropping funnel. The mixture was reflux at 80 °C overnight under inert atmosphere. The reaction mixture was filtered and the solvent evaporated. The residue was dissolved in CHCl3 and washed with 10percent K2CO3 (3 x 15 mL). The organic layer was collected, dried over MgSO4, concentrated to give crude in the form of yellow oil. Purification of product 7a (0.95 g, 60percent) was done by the same procedure as described in method A.
Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 3, p. 1015 - 1018
  • 2
  • [ 1073-72-9 ]
  • [ 86990-28-5 ]
  • [ 59729-37-2 ]
YieldReaction ConditionsOperation in experiment
73.6 %Chromat. at 28 - 50℃; for 5.83333 h; Preparing a solution of 4-methylmercapto-phenol in acetone from 70.0 g (0.5 m) of 4- methylmercapto-phenol (purity >99.9 percent) and 70.0 g (90 ml) anhydrous acetone (100 percent pure), then adding the latter to the reaction medium of step a) over a period of 120 min while keeping the reaction mixture under constant stirring at 28 °C; stirring is performed thereafter at this temperature for 3 further hours.Heating progressively the resulting reaction medium from 28 to 50 °C over a period of 50 min; eventually keeping stirring for an additional period of maximum 60 min at 50 °C before pouring 500 ml of preheated water (68 °C) onto the above reaction mixture (quenching). Stirring the whole mass at 55 °C until complete dissolution of the components, then separating the aqueous lower phase from the acetone phase for elimination and eventually keeping the remaining acetone phase at 50 °C for the subsequent step.
Reference： [1] Patent: WO2014/79497, 2014, A1, . Location in patent: Page/Page column 6; 7
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 1073-72-9 ]

Aryls

Chemical Structure| 461-84-7

[ 461-84-7 ]

4-(Trifluoromethylthio)phenol

Similarity: 0.80

Chemical Structure| 696-63-9

[ 696-63-9 ]

4-Methoxythiophenol

Similarity: 0.75

Chemical Structure| 14763-60-1

[ 14763-60-1 ]

4-(Methylsulfonyl)phenol

Similarity: 0.73

Chemical Structure| 699-12-7

[ 699-12-7 ]

2-(Phenylthio)ethanol

Similarity: 0.72

Chemical Structure| 67868-84-2

[ 67868-84-2 ]

2-Hydroxy-5-(methylthio)benzaldehyde

Similarity: 0.71

Sulfides

Chemical Structure| 461-84-7

[ 461-84-7 ]

4-(Trifluoromethylthio)phenol

Similarity: 0.80

Chemical Structure| 699-12-7

[ 699-12-7 ]

2-(Phenylthio)ethanol

Similarity: 0.72

Chemical Structure| 96-69-5

[ 96-69-5 ]

4,4'-Thiobis(2-(tert-butyl)-5-methylphenol)

Similarity: 0.65

Chemical Structure| 139-66-2

[ 139-66-2 ]

Diphenylsulfane

Similarity: 0.64

Chemical Structure| 6317-56-2

[ 6317-56-2 ]

(4-(Phenylthio)phenyl)methanol

Similarity: 0.64

; ;