CAS RN: 28588-74-1
2-Methyl-3-furanthiol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250302 | 250mg / 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing | Inquiry |
- Product code: ICTM1847
- Purity/Analytical Methods: >95.0%(GC)
28588-74-1 / 2-methylfuran-3-thiol
Basic Information
CAS
28588-74-1
Multi CAS
Yes
Molecular Formula
C5H6OS
Molecular Weight
114.170000
Exact Mass
114.013936
InChI
InChI=1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3
InChIKey
RUYNUXHHUVUINQ-UHFFFAOYSA-N
Physical Properties
Boiling Point
57.00 to 60.00 °C. @ 44.00 mm Hg
Density
1.141-1.150
Physical Description
Pale pink to pale orange liquid; aroma of roasted meat
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.7
TPSA
13.14
LogP / Solubility
WLOGP
1.88
MLOGP
1.64
XLogP3
1.5
Consensus LogP
1.67
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
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)
-2.08
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
