CAS RN: 35551-31-6
2(1H)-Pyrimidinone, 4-(methylthio)- (9CI)
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.20250112 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS35551-31-6
- Purity/Analytical Methods: >99.0%
35551-31-6 / 6-methylsulfanyl-1H-pyrimidin-2-one
Basic Information
CAS
35551-31-6
Multi CAS
Yes
Molecular Formula
C5H6N2OS
Molecular Weight
142.180000
Exact Mass
142.020084
InChI
InChI=1S/C5H6N2OS/c1-9-4-2-3-6-5(8)7-4/h2-3H,1H3,(H,6,7,8)
InChIKey
NALHPVUWRWEAQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.64
TPSA
45.75
LogP / Solubility
WLOGP
0.49
MLOGP
0.43
XLogP3
-1.1
Consensus LogP
-0.06
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
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)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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