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CAS 68156-13-8 Diphenyl(4-phenylthio)phenylsufonium hexafluorophosphate molecular structure lightbox
CAS RN: 68156-13-8

Diphenyl(4-phenylthio)phenylsufonium hexafluorophosphate

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Batchno.20260126 25g Out of stock Inquiry
  • Product code: starshine_CAS68156-13-8
  • Purity/Analytical Methods: >99.0%
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68156-13-8 / diphenyl-(2-phenylsulfanylphenyl)sulfanium hexafluorophosphate

Standard CAS: 68156-13-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68156-13-8
Multi CAS
Yes
Molecular Formula
C24F6H19PS2
Molecular Weight
516.500000
Exact Mass
516.056999
InChI
InChI=1S/C24H19S2.F6P/c1-4-12-20(13-5-1)25-23-18-10-11-19-24(23)26(21-14-6-2-7-15-21)22-16-8-3-9-17-22;1-7(2,3,4,5)6/h1-19H;/q+1;-1
InChIKey
SFWSATMGMAKCIF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
24
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
125.62
TPSA
26.3000

LogP / Solubility

WLOGP
10.32
MLOGP
9.12
XLogP3
10.32
Consensus LogP
9.92
Log S (ESOL)
-9.75
Class (ESOL)
Insoluble
Log S (Ali)
-11.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.18
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.45

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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