CAS RN: 790681-62-8
1-(2-ISOPROPYLPHENYL)-5-(4-METHYLPHENYL)-1H-IMIDAZOLE-2-THIOL
- Product code: SSC-188289
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
790681-62-8 / 4-(4-methylphenyl)-3-(2-propan-2-ylphenyl)-1H-imidazole-2-thione
Basic Information
CAS
790681-62-8
Multi CAS
No
Molecular Formula
C19H20N2S
Molecular Weight
308.400000
Exact Mass
308.134720
InChI
InChI=1S/C19H20N2S/c1-13(2)16-6-4-5-7-17(16)21-18(12-20-19(21)22)15-10-8-14(3)9-11-15/h4-13H,1-3H3,(H,20,22)
InChIKey
WGYRODCLCDECGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
95.22
TPSA
20.72
LogP / Solubility
WLOGP
5.63
MLOGP
4.97
XLogP3
4.6
Consensus LogP
5.07
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.7
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.6
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
2.5
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