CAS RN: 36448-60-9
2-methyl-1-thiophen-2-yl-propan-1-one
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.20260307 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS36448-60-9
- Purity/Analytical Methods: >99.0%
36448-60-9 / 2-methyl-1-thiophen-2-ylpropan-1-one
Basic Information
CAS
36448-60-9
Multi CAS
No
Molecular Formula
C8H10OS
Molecular Weight
154.230000
Exact Mass
154.045236
InChI
InChI=1S/C8H10OS/c1-6(2)8(9)7-4-3-5-10-7/h3-6H,1-2H3
InChIKey
OTQCCAKDOPROBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
43.49
TPSA
17.07
LogP / Solubility
WLOGP
2.59
MLOGP
2.27
XLogP3
2.3
Consensus LogP
2.39
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly 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)
-1.82
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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