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[ CAS No. 75318-43-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 75318-43-3
Chemical Structure| 75318-43-3
Structure of 75318-43-3 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 75318-43-3 ]

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Product Citations

Product Details of [ 75318-43-3 ]

CAS No. :75318-43-3 MDL No. :MFCD03426194
Formula : C2Cl3NS2 Boiling Point : -
Linear Structure Formula :- InChI Key :NIZMCFUMSHISLW-UHFFFAOYSA-M
M.W : 208.52 Pubchem ID :11095847
Synonyms :

Calculated chemistry of [ 75318-43-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 40.27
TPSA : 69.37 ?2

Pharmacokinetics

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) : -5.17 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 3.39
Log Po/w (WLOGP) : -0.2
Log Po/w (MLOGP) : 1.0
Log Po/w (SILICOS-IT) : 2.41
Consensus Log Po/w : 1.32

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.73
Solubility : 0.0387 mg/ml ; 0.000186 mol/l
Class : Soluble
Log S (Ali) : -4.53
Solubility : 0.00621 mg/ml ; 0.0000298 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -1.9
Solubility : 2.63 mg/ml ; 0.0126 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.05

Safety of [ 75318-43-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 75318-43-3 ]

* 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.

  • Downstream synthetic route of [ 75318-43-3 ]

[ 75318-43-3 ] Synthesis Path-Downstream   1~15

  • 1
  • [ 37585-16-3 ]
  • [ 75318-43-3 ]
  • {4-Chloro-2-[4-chloro-[1,2,3]dithiazol-(5Z)-ylideneamino]-phenyl}-methanol [ No CAS ]
  • 2
  • [ 37585-16-3 ]
  • [ 75318-43-3 ]
  • {4-Chloro-2-[4-chloro-[1,2,3]dithiazol-(5Z)-ylideneamino]-phenyl}-methanol [ No CAS ]
  • 3
  • [ 4139-61-1 ]
  • [ 75318-43-3 ]
  • (E)-6-bromo-3-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-6-methyl-2H-1-benzopyran-2,4-dione [ No CAS ]
  • 4
  • [ 6154-04-7 ]
  • [ 75318-43-3 ]
  • (4-chloro-[1,2,3]dithiazol-5-ylidene)-(2-methyl-2<i>H</i>-tetrazol-5-yl)-amine [ No CAS ]
  • 5
  • [ 16687-60-8 ]
  • [ 75318-43-3 ]
  • C9H4Cl2N4O2S2 [ No CAS ]
  • 6
  • [ 16687-60-8 ]
  • [ 75318-43-3 ]
  • 4-Chloro-5-[5-(4-nitro-phenyl)-tetrazol-2-yl]-[1,2,3]dithiazol-1-ylium; chloride [ No CAS ]
  • 7
  • [ 32566-01-1 ]
  • [ 75318-43-3 ]
  • [ 311330-16-2 ]
  • 8
  • [ 6154-04-7 ]
  • [ 75318-43-3 ]
  • 5-(4-chloro-5H-1,2,3-dithiazol-5-ylimino)-2-methyltetrazole [ No CAS ]
  • 9
  • [ 16687-60-8 ]
  • [ 75318-43-3 ]
  • 3-chloro-1-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-3-(4-nitrophenyl)-1,2-diazaprop-2-ene [ No CAS ]
  • 10
  • [ 75318-43-3 ]
  • [ 158001-28-6 ]
  • (4-chloro-[1,2,3]dithiazol-5-ylidene)(1-tert-butyl-4-cyanopyrazol-5-yl)amine [ No CAS ]
  • 11
  • [ 3325-11-9 ]
  • [ 75318-43-3 ]
  • N-(1H-benzotriazol-5-yl)-2-nitrilo-thioacetamide [ No CAS ]
  • (1H-benzotriazol-5-yl)-(4-chloro-[1,2,3]dithiazol-5-yliden)amine [ No CAS ]
  • 12
  • [ 17601-94-4 ]
  • [ 75318-43-3 ]
  • [ 1192690-66-6 ]
  • [ 75318-44-4 ]
  • 14
  • [ 75318-43-3 ]
  • [ 141459-53-2 ]
  • [ 1603826-52-3 ]
  • 15
  • [ 104-94-9 ]
  • [ 75318-43-3 ]
  • [ 939-69-5 ]
  • [ 943-03-3 ]
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