CAS RN: 15998-99-9
2,4(1H,3H)-Pyrimidinedione, dihydro-6-thioxo- (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.20260523 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS15998-99-9
- Purity/Analytical Methods: >99.0%
15998-99-9 / 6-sulfanylidene-1,3-diazinane-2,4-dione
Basic Information
CAS
15998-99-9
Multi CAS
No
Molecular Formula
C4H4N2O2S
Molecular Weight
144.150000
Exact Mass
143.999349
SMILES
C1C(=O)NC(=O)NC1=S
InChI
InChI=1S/C4H4N2O2S/c7-2-1-3(9)6-4(8)5-2/h1H2,(H2,5,6,7,8,9)
InChIKey
CWQRZHJVEYUBDY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
2
Molar refractivity
33.89
TPSA
58.2
LogP / Solubility
WLOGP
-0.46
MLOGP
-0.41
XLogP3
-0.9
Consensus LogP
-0.59
Log S (ESOL)
-0.45
Class (ESOL)
Very soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.22
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-3.92
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
-
-
-
TRANS-1-PHENYL-1-PENTENE
- CAS RN: 16002-93-0
- Product Code: starshine_CAS16002-93-0
- Purity/Analytical method: >99.0%
-
2-NITROBENZALDEHYDE SEMICARBAZONE
- CAS RN: 16004-43-6
- Product Code: starshine_CAS16004-43-6
- Purity/Analytical method: >99.0%
-
-
