CAS RN: 5309-94-4
Propanethioamide, N,N-dimethyl-
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.20250613 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5309-94-4
- Purity/Analytical Methods: >99.0%
5309-94-4 / N,N-dimethylpropanethioamide
Basic Information
CAS
5309-94-4
Multi CAS
No
Molecular Formula
C5H11NS
Molecular Weight
117.220000
Exact Mass
117.061221
InChI
InChI=1S/C5H11NS/c1-4-5(7)6(2)3/h4H2,1-3H3
InChIKey
SLWQSDNKUVNQBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
36.58
TPSA
3.24
LogP / Solubility
WLOGP
1.29
MLOGP
1.12
XLogP3
0.8
Consensus LogP
1.07
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
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)
-2.52
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
