CAS RN: 190579-95-4
4-(2-FURYL)-2-PYRIMIDINETHIOL
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.20250630 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS190579-95-4
- Purity/Analytical Methods: >99.0%
190579-95-4 / 6-(furan-2-yl)-1H-pyrimidine-2-thione
Basic Information
CAS
190579-95-4
Multi CAS
No
Molecular Formula
C8H6N2OS
Molecular Weight
178.210000
Exact Mass
178.020084
SMILES
C1=COC(=C1)C2=CC=NC(=S)N2
InChI
InChI=1S/C8H6N2OS/c12-8-9-4-3-6(10-8)7-2-1-5-11-7/h1-5H,(H,9,10,12)
InChIKey
YGXHXJRIPUVEGH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.12
TPSA
41.82
LogP / Solubility
WLOGP
2.4
MLOGP
2.11
XLogP3
0.6
Consensus LogP
1.7
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1
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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![CAS 190595-65-4 (3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/190595-65-4.gif)
![CAS 190598-55-1 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, 2,5-dioxo-3-sulfo-1-pyrrolidinyl ester, (3aS,4S,6aR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/190598-55-1.gif)
