CAS RN: 874779-72-3
4-Pyridin-4-ylpyrimidine-2(1H)-thione
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.20251017 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS874779-72-3
- Purity/Analytical Methods: >99.0%
874779-72-3 / 6-pyridin-4-yl-1H-pyrimidine-2-thione
Basic Information
CAS
874779-72-3
Multi CAS
No
Molecular Formula
C9H7N3S
Molecular Weight
189.240000
Exact Mass
189.036068
InChI
InChI=1S/C9H7N3S/c13-9-11-6-3-8(12-9)7-1-4-10-5-2-7/h1-6H,(H,11,12,13)
InChIKey
BXIKZEVIUVMSNP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.65
TPSA
41.57
LogP / Solubility
WLOGP
2.2
MLOGP
1.94
XLogP3
0.5
Consensus LogP
1.55
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31
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
-
-
-
-
-
-
2-BROMO-4,5-DIFLUOROBENZENESULFONYL CHLORIDE
- CAS RN: 874784-11-9
- Product Code: SSC-197490
