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[ CAS No. 638-02-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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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+
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Chemical Structure| 638-02-8
Chemical Structure| 638-02-8
Structure of 638-02-8 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 638-02-8 ]

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Product Details of [ 638-02-8 ]

CAS No. :638-02-8 MDL No. :MFCD00005452
Formula : C6H8S Boiling Point : -
Linear Structure Formula :- InChI Key :GWQOOADXMVQEFT-UHFFFAOYSA-N
M.W : 112.19 Pubchem ID :12514
Synonyms :

Calculated chemistry of [ 638-02-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.33
Num. rotatable bonds : 0
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 34.25
TPSA : 28.24 ?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) : -5.28 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.06
Log Po/w (XLOGP3) : 2.4
Log Po/w (WLOGP) : 2.36
Log Po/w (MLOGP) : 1.91
Log Po/w (SILICOS-IT) : 3.46
Consensus Log Po/w : 2.44

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.58
Solubility : 0.298 mg/ml ; 0.00265 mol/l
Class : Soluble
Log S (Ali) : -2.63
Solubility : 0.26 mg/ml ; 0.00232 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.38
Solubility : 0.467 mg/ml ; 0.00416 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.62

Safety of [ 638-02-8 ]

Signal Word:Danger Class:3
Precautionary Statements:P210-P403+P235 UN#:1993
Hazard Statements:H225 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 638-02-8 ]

* 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 [ 638-02-8 ]

[ 638-02-8 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 638-02-8 ]
  • [ 93-61-8 ]
  • [ 26421-44-3 ]
  • 2
  • [ 638-02-8 ]
  • [ 5312-73-2 ]
  • [ 26421-44-3 ]
  • 3
  • [ 111-65-9 ]
  • [ 554-14-3 ]
  • [ 872-55-9 ]
  • [ 1551-27-5 ]
  • [ 638-02-8 ]
  • [ 1455-20-5 ]
  • [ 40323-88-4 ]
  • 4
  • [ 638-02-8 ]
  • [ 25891-31-0 ]
  • [ 26421-44-3 ]
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