CAS RN: 59121-25-4
5-(methylthio)-valeronitrile,5-(methylthio)-pentanenitrile,1-cyano-4-(methylthio)butane,5-methylthiopentanenitrile
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.20250331 | 10mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS59121-25-4
- Purity/Analytical Methods: >99.0%
59121-25-4 / 5-methylsulfanylpentanenitrile
Basic Information
CAS
59121-25-4
Multi CAS
Yes
Molecular Formula
C6H11NS
Molecular Weight
129.230000
Exact Mass
129.061221
InChI
InChI=1S/C6H11NS/c1-8-6-4-2-3-5-7/h2-4,6H2,1H3
InChIKey
XPUDGEZWSNPCMM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
37.85
TPSA
23.79
LogP / Solubility
WLOGP
2.04
MLOGP
1.79
XLogP3
1.3
Consensus LogP
1.71
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.06
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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