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CAS 28588-73-0 3,3′-dithiobis[2,5-dimethylfuran] molecular structure lightbox
CAS RN: 28588-73-0

3,3′-dithiobis[2,5-dimethylfuran]

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250827 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS28588-73-0
  • Purity/Analytical Methods: >99.0%
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28588-73-0 / 3-[(2,5-dimethylfuran-3-yl)disulfanyl]-2,5-dimethylfuran

Standard CAS: 28588-73-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
28588-73-0
Multi CAS
No
Molecular Formula
C12H14O2S2
Molecular Weight
254.400000
Exact Mass
254.043522
InChI
InChI=1S/C12H14O2S2/c1-7-5-11(9(3)13-7)15-16-12-6-8(2)14-10(12)4/h5-6H,1-4H3
InChIKey
JDWCALSZHJBMIQ-UHFFFAOYSA-N

Physical Properties

Boiling Point
110.00 to 111.00 °C. @ 1.00 mm Hg
Density
1.140-1.152
Physical Description
Amber liquid; meaty aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
68.08
TPSA
26.28

LogP / Solubility

WLOGP
4.91
MLOGP
4.32
XLogP3
3.8
Consensus LogP
4.34
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.75
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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