CAS RN: 38486-22-5
4H-Thiopyran-4-one, tetrahydro-3-methyl-
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.20260608 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS38486-22-5
- Purity/Analytical Methods: >99.0%
38486-22-5 / 3-methylthian-4-one
Basic Information
CAS
38486-22-5
Multi CAS
No
Molecular Formula
C6H10OS
Molecular Weight
130.210000
Exact Mass
130.045236
InChI
InChI=1S/C6H10OS/c1-5-4-8-3-2-6(5)7/h5H,2-4H2,1H3
InChIKey
RYXJDUOHUJITMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.83
H-bond acceptors
2
Molar refractivity
36.11
TPSA
17.07
LogP / Solubility
WLOGP
1.33
MLOGP
1.16
XLogP3
0.9
Consensus LogP
1.13
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.59
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)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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