CAS RN: 34876-35-2
3-Hydroxy-4-Methyl-2(5H)-thiophenone
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.20251019 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS34876-35-2
- Purity/Analytical Methods: >99.0%
34876-35-2 / 4-hydroxy-3-methyl-2H-thiophen-5-one
Basic Information
CAS
34876-35-2
Multi CAS
No
Molecular Formula
C5H6O2S
Molecular Weight
130.170000
Exact Mass
130.008851
InChI
InChI=1S/C5H6O2S/c1-3-2-8-5(7)4(3)6/h6H,2H2,1H3
InChIKey
JYGDHIPTFIMTTN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.79
TPSA
37.3
LogP / Solubility
WLOGP
1.09
MLOGP
0.95
XLogP3
0.5
Consensus LogP
0.85
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-2.74
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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