CAS RN: 65505-17-1
2-Methyl-3-(methyldithio)furan
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.20250211 | 200mg / 1g / 5g / 25g / 100g | Confirm by inquiry | Shandong, Shanghai, Chongqing, Hebei | Inquiry |
- Product code: ICTM1837
- Purity/Analytical Methods: >98.0%(GC)
65505-17-1 / 2-methyl-3-(methyldisulfanyl)furan
Basic Information
CAS
65505-17-1
Multi CAS
Yes
Molecular Formula
C6H8OS2
Molecular Weight
160.300000
Exact Mass
160.001657
InChI
InChI=1S/C6H8OS2/c1-5-6(9-8-2)3-4-7-5/h3-4H,1-2H3
InChIKey
SRUTWBWLFKSTIS-UHFFFAOYSA-N
Physical Properties
Boiling Point
213.00 to 217.00 °C. @ 760.00 mm Hg
Density
1.203-1.208
Physical Description
Liquid; roast meat aroma
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
42.82
TPSA
13.14
LogP / Solubility
WLOGP
2.96
MLOGP
2.6
XLogP3
1.9
Consensus LogP
2.49
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-1.6
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
