CAS RN: 571157-63-6
1-(2-METHOXY-ETHYL)-1H-BENZOIMIDAZOLE-2-THIOL
- Product code: SSC-165222
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 | Shanghai | Inquiry |
571157-63-6 / 3-(2-methoxyethyl)-1H-benzimidazole-2-thione
Basic Information
CAS
571157-63-6
Multi CAS
No
Molecular Formula
C10H12N2OS
Molecular Weight
208.280000
Exact Mass
208.067034
InChI
InChI=1S/C10H12N2OS/c1-13-7-6-12-9-5-3-2-4-8(9)11-10(12)14/h2-5H,6-7H2,1H3,(H,11,14)
InChIKey
GJGGNVTXYUALAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59
TPSA
29.95
LogP / Solubility
WLOGP
2.35
MLOGP
2.06
XLogP3
1.2
Consensus LogP
1.87
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33
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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