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CAS 28588-75-2 Bis(2-methyl-3-furyl) Disulfide molecular structure lightbox
CAS RN: 28588-75-2

Bis(2-methyl-3-furyl) Disulfide

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251209 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei Inquiry
  • Product code: ICTB3360
  • Purity/Analytical Methods: >98.0%(GC)
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28588-75-2 / 2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan

Standard CAS: 28588-75-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
28588-75-2
Multi CAS
No
Molecular Formula
C10H10O2S2
Molecular Weight
226.300000
Exact Mass
226.012222
InChI
InChI=1S/C10H10O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3-6H,1-2H3
InChIKey
OHDFENKFSKIFBJ-UHFFFAOYSA-N

Physical Properties

Boiling Point
277.00 to 280.00 °C. @ 760.00 mm Hg
Density
1.146-1.154
Physical Description
Colourless liquid; roast, meaty aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
58.6
TPSA
26.28

LogP / Solubility

WLOGP
4.29
MLOGP
3.78
XLogP3
3
Consensus LogP
3.69
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
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)
-1.06

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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