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CAS 63012-97-5 2-Methyl-3-(methylthio)furan molecular structure lightbox
CAS RN: 63012-97-5

2-Methyl-3-(methylthio)furan

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260312 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: ICTM1838
  • Purity/Analytical Methods: >98.0%(GC)
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63012-97-5 / 2-methyl-3-methylsulfanylfuran

Standard CAS: 63012-97-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
63012-97-5
Multi CAS
Yes
Molecular Formula
C6H8OS
Molecular Weight
128.190000
Exact Mass
128.029586
InChI
InChI=1S/C6H8OS/c1-5-6(8-2)3-4-7-5/h3-4H,1-2H3
InChIKey
OQVAOEIMSKZGAL-UHFFFAOYSA-N

Physical Properties

Density
1.064-1.071 (20°)
Physical Description
Yellow liquid; meaty aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
35.23
TPSA
13.14

LogP / Solubility

WLOGP
2.31
MLOGP
2.02
XLogP3
1.9
Consensus LogP
2.08
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately 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)
-1.86

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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