CAS RN: 882-33-7
Diphenyl Disulfide
Product Availability
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5 package records5 with current stock1 grade group
- Product code: ICTP0167
- Purity/Analytical Methods: >99.0%(GC)
882-33-7 / (phenyldisulfanyl)benzene
Basic Information
CAS
882-33-7
Multi CAS
Yes
Molecular Formula
C12H10S2
Molecular Weight
218.300000
Exact Mass
218.022393
InChI
InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
InChIKey
GUUVPOWQJOLRAS-UHFFFAOYSA-N
Physical Properties
Melting Point
62 - 63 °C
Boiling Point
310.00 °C. @ 760.00 mm Hg
Density
1.353 (20°)
Physical Description
Colorless solid; [Merck Index] White crystalline powder with an unpleasant odor;
Solid
orthorhombic needles
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
64.6
TPSA
50.6000
LogP / Solubility
WLOGP
4.49
MLOGP
3.95
XLogP3
4.4
Consensus LogP
4.28
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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