CAS RN: 25372-14-9
1-(2-METHYLPHENYL)-1H-IMIDAZOLE-2-THIOL
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.20250919 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS25372-14-9
- Purity/Analytical Methods: >99.0%
25372-14-9 / 3-(2-methylphenyl)-1H-imidazole-2-thione
Basic Information
CAS
25372-14-9
Multi CAS
No
Molecular Formula
C10H10N2S
Molecular Weight
190.270000
Exact Mass
190.056470
SMILES
CC1=CC=CC=C1N2C=CNC2=S
InChI
InChI=1S/C10H10N2S/c1-8-4-2-3-5-9(8)12-7-6-11-10(12)13/h2-7H,1H3,(H,11,13)
InChIKey
OCZKBYRAKWKTEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.69
TPSA
20.72
LogP / Solubility
WLOGP
2.84
MLOGP
2.5
XLogP3
1.8
Consensus LogP
2.38
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly 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)
-1.86
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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