CAS RN: 67952-65-2
2-METHYLTHIO-3,5-METHYLPYRAZINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260522 | 25g / 100g / 500g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS67952-65-2
- Purity/Analytical Methods: >99.0%
67952-65-2 / 3,5-dimethyl-2-methylsulfanylpyrazine
Basic Information
CAS
67952-65-2
Multi CAS
Yes
Molecular Formula
C7H10N2S
Molecular Weight
154.240000
Exact Mass
154.056470
InChI
InChI=1S/C7H10N2S/c1-5-4-8-7(10-3)6(2)9-5/h4H,1-3H3
InChIKey
WVLCKAWPCLTOOS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
43.29
TPSA
25.78
LogP / Solubility
WLOGP
1.82
MLOGP
1.59
XLogP3
1.4
Consensus LogP
1.6
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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