CAS RN: 6311-83-7
6-Mercapto-4(1H)-pyrimidinone
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.20260512 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS6311-83-7
- Purity/Analytical Methods: >99.0%
6311-83-7 / 4-sulfanyl-1H-pyrimidin-6-one
Basic Information
CAS
6311-83-7
Multi CAS
Yes
Molecular Formula
C4H4N2OS
Molecular Weight
128.150000
Exact Mass
128.004434
InChI
InChI=1S/C4H4N2OS/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)
InChIKey
QXFVCKOCNCYDQD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
32.11
TPSA
45.75
LogP / Solubility
WLOGP
0.06
MLOGP
0.04
XLogP3
-0.4
Consensus LogP
-0.1
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.54
Class (SILICOS-IT)
Very 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)
-3.46
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
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