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CAS 594-43-4 Ethyl Methyl Sulfone molecular structure lightbox
CAS RN: 594-43-4

Ethyl Methyl Sulfone

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6 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251204 100g In stock Inquiry
Batchno.20250930 1g In stock Inquiry
Batchno.20260311 25g In stock Inquiry
Batchno.20250111 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250822 5g / 25g / 100g Confirm by inquiry Shandong, Guangdong, Hebei, Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250920 5g In stock Shanghai Inquiry
  • Product code: ICTE0474
  • Purity/Analytical Methods: >98.0%(GC)
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594-43-4 / 1-methylsulfonylethane

Standard CAS: 594-43-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
594-43-4
Multi CAS
Yes
Molecular Formula
C3H8O2S
Molecular Weight
108.160000
Exact Mass
108.024501
InChI
InChI=1S/C3H8O2S/c1-3-6(2,4)5/h3H2,1-2H3
InChIKey
YBJCDTIWNDBNTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
25.38
TPSA
34.14

LogP / Solubility

WLOGP
0.05
MLOGP
0.03
Consensus LogP
0.03
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.48
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
Class (SILICOS-IT)
Very 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)
-3.34

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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