CAS RN: 19742-92-8
3,3′-DICHLORO DIPHENYL DISULFIDE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS19742-92-8
- Purity/Analytical Methods: >99.0%
19742-92-8 / 1-chloro-3-[(3-chlorophenyl)disulfanyl]benzene
Basic Information
CAS
19742-92-8
Multi CAS
No
Molecular Formula
C12H8Cl2S2
Molecular Weight
287.200000
Exact Mass
285.944448
SMILES
C1=CC(=CC(=C1)Cl)SSC2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H8Cl2S2/c13-9-3-1-5-11(7-9)15-16-12-6-2-4-10(14)8-12/h1-8H
InChIKey
OLOYVIPZMIIGOH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
74.62
TPSA
50.6000
LogP / Solubility
WLOGP
5.79
MLOGP
5.11
XLogP3
5.7
Consensus LogP
5.53
Log S (ESOL)
-5.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.7
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
AC-LEU-PNA
- CAS RN: 19746-40-8
- Product Code: starshine_CAS19746-40-8
- Purity/Analytical method: >99.0%
-
8-Ethoxy-5-nitroquinoline
- CAS RN: 19746-57-7
- Product Code: starshine_CAS19746-57-7
- Purity/Analytical method: >99.0%
-
-
-
