CAS RN: 6973-81-5
4(1H)-Pyrimidinone, 2-amino-6-mercapto- (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.20250705 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS6973-81-5
- Purity/Analytical Methods: >99.0%
6973-81-5 / 2-amino-4-sulfanyl-1H-pyrimidin-6-one
Basic Information
CAS
6973-81-5
Multi CAS
Yes
Molecular Formula
C4H5N3OS
Molecular Weight
143.170000
Exact Mass
143.015333
InChI
InChI=1S/C4H5N3OS/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)
InChIKey
DANMWFUINURCJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
36.52
TPSA
71.77
LogP / Solubility
WLOGP
-0.36
MLOGP
-0.32
XLogP3
-0.9
Consensus LogP
-0.53
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.29
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)
-3.85
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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