CAS RN: 85178-37-6
methyl 5-thioxo-L-prolinate
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.20250918 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS85178-37-6
- Purity/Analytical Methods: >99.0%
85178-37-6 / methyl 5-sulfanylidenepyrrolidine-2-carboxylate
Basic Information
CAS
85178-37-6
Multi CAS
Yes
Molecular Formula
C6H9NO2S
Molecular Weight
159.210000
Exact Mass
159.035400
InChI
InChI=1S/C6H9NO2S/c1-9-6(8)4-2-3-5(10)7-4/h4H,2-3H2,1H3,(H,7,10)/t4-/m0/s1
InChIKey
BDNFWMHPTDPFIT-BYPYZUCNSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.77
TPSA
38.33
LogP / Solubility
WLOGP
0.24
MLOGP
0.21
XLogP3
0.2
Consensus LogP
0.22
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.01
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)
-3.52
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
2
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