CAS RN: 31645-12-2
Sodium 2-Thiobarbiturate
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250430 | 5g / 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing | Inquiry |
- Product code: ICTT0193
- Purity/Analytical Methods: >98.0%(T)
31645-12-2 / sodium 2-sulfanylidenepyrimidin-3-ide-4,6-dione
Basic Information
CAS
31645-12-2
Multi CAS
Yes
Molecular Formula
C4H3N2NAO2S
Molecular Weight
166.140000
Exact Mass
165.981293
InChI
InChI=1S/C4H4N2O2S.Na/c7-2-1-3(8)6-4(9)5-2;/h1H2,(H2,5,6,7,8,9);/q;+1/p-1
InChIKey
UZVLHDNOORSKMZ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
1
Molar refractivity
33.72
TPSA
60.27
LogP / Solubility
WLOGP
-3.3
MLOGP
-2.91
XLogP3
-3.3
Consensus LogP
-3.17
Log S (ESOL)
1.21
Class (ESOL)
Highly soluble
Log S (Ali)
1.46
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.08
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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