CAS RN: 158438-81-4
2-(2-Pyridinylamino)-benzenethiol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250924 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS158438-81-4
- Purity/Analytical Methods: >99.0%
158438-81-4 / 2-(pyridin-2-ylamino)benzenethiol
Basic Information
CAS
158438-81-4
Multi CAS
No
Molecular Formula
C11H10N2S
Molecular Weight
202.280000
Exact Mass
202.056470
SMILES
C1=CC=C(C(=C1)NC2=CC=CC=N2)S
InChI
InChI=1S/C11H10N2S/c14-10-6-2-1-5-9(10)13-11-7-3-4-8-12-11/h1-8,14H,(H,12,13)
InChIKey
VBDMZVDWMZEJLA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.21
TPSA
24.92
LogP / Solubility
WLOGP
3.11
MLOGP
2.74
XLogP3
2.9
Consensus LogP
2.92
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly 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)
-1.74
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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