CAS RN: 852388-87-5
3-(2,3-DIMETHYLPHENYL)-2-MERCAPTO-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE
- Product code: SSC-193526
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
852388-87-5 / 3-(2,3-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one
Basic Information
CAS
852388-87-5
Multi CAS
No
Molecular Formula
C11H12N2OS
Molecular Weight
220.290000
Exact Mass
220.067034
InChI
InChI=1S/C11H12N2OS/c1-7-4-3-5-9(8(7)2)13-10(14)6-12-11(13)15/h3-5H,6H2,1-2H3,(H,12,15)
InChIKey
YNGWUDTVAPDIMD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64
TPSA
32.34
LogP / Solubility
WLOGP
1.52
MLOGP
1.34
XLogP3
2
Consensus LogP
1.62
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately 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)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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