CAS RN: 4556-23-4
4-Mercaptopyridine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251109 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
- Product code: ICTM0630
- Purity/Analytical Methods: >97.0%(T)
4556-23-4 / 1H-pyridine-2-thione
Basic Information
CAS
4556-23-4
Multi CAS
Yes
Molecular Formula
C5H5NS
Molecular Weight
111.170000
Exact Mass
111.014270
InChI
InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
InChIKey
WHMDPDGBKYUEMW-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid with a stench
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.63
TPSA
15.79
LogP / Solubility
WLOGP
1.74
MLOGP
1.52
XLogP3
-0.1
Consensus LogP
1.05
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16
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
