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CAS 90201-28-8 ethyl 3-(ethylthio)butyrate molecular structure lightbox
CAS RN: 90201-28-8

ethyl 3-(ethylthio)butyrate

  • Product code: SSC-202683
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 90201-28-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

90201-28-8 / ethyl 3-ethylsulfanylbutanoate

Standard CAS: 90201-28-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
90201-28-8
Multi CAS
Yes
Molecular Formula
C8H16O2S
Molecular Weight
176.280000
Exact Mass
176.087101
InChI
InChI=1S/C8H16O2S/c1-4-10-8(9)6-7(3)11-5-2/h7H,4-6H2,1-3H3
InChIKey
JMXMTQDOJYBDSL-UHFFFAOYSA-N

Physical Properties

Density
0.981-0.987 (20°)
Physical Description
Clear colourless liquid; Metallic fruit-like aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
48.84
TPSA
26.3

LogP / Solubility

WLOGP
2.08
MLOGP
1.83
XLogP3
1.9
Consensus LogP
1.94
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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