CAS RN: 20362-54-3
2,2′-Dithiobis Thiazole
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS20362-54-3
- Purity/Analytical Methods: >99.0%
20362-54-3 / 2-(1,3-thiazol-2-yldisulfanyl)-1,3-thiazole
Basic Information
CAS
20362-54-3
Multi CAS
No
Molecular Formula
C6H4N2S4
Molecular Weight
232.400000
Exact Mass
231.925733
SMILES
C1=CSC(=N1)SSC2=NC=CS2
InChI
InChI=1S/C6H4N2S4/c1-3-9-5(7-1)11-12-6-8-2-4-10-6/h1-4H
InChIKey
MZIWZDMEFARRSI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
55.94
TPSA
25.78
LogP / Solubility
WLOGP
3.4
MLOGP
3
XLogP3
2.8
Consensus LogP
3.07
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72
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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- CAS RN: 203633-19-6
- Product Code: SSC-095864
