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CAS 57124-87-5 2-Methyltetrahydrofuran-3-thiol (cis- and trans- mixture) molecular structure lightbox
CAS RN: 57124-87-5

2-Methyltetrahydrofuran-3-thiol (cis- and trans- mixture)

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251217 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: ICTM1841
  • Purity/Analytical Methods: >98.0%(GC)
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57124-87-5 / 2-methyloxolane-3-thiol

Standard CAS: 57124-87-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
57124-87-5
Multi CAS
Yes
Molecular Formula
C5H10OS
Molecular Weight
118.200000
Exact Mass
118.045236
InChI
InChI=1S/C5H10OS/c1-4-5(7)2-3-6-4/h4-5,7H,2-3H2,1H3
InChIKey
DBPHPBLAKVZXOY-UHFFFAOYSA-N

Physical Properties

Boiling Point
163.00 to 168.00 °C. @ 760.00 mm Hg
Density
1.042-1.049
Physical Description
Clear liquid; roasted meat, sulfurous onion aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.8
TPSA
9.23

LogP / Solubility

WLOGP
1.09
MLOGP
0.95
XLogP3
1
Consensus LogP
1.01
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
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)
-2.66

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
2.5

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