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CAS 925-47-3 Diethyl 2,2′-Thiodiglycolate molecular structure lightbox
CAS RN: 925-47-3

Diethyl 2,2′-Thiodiglycolate

  • Product code: SSC-206180
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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: 25g
  • Available purity: ≥97%
  • 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 925-47-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

925-47-3 / ethyl 2-(2-ethoxy-2-oxoethyl)sulfanylacetate

Standard CAS: 925-47-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
925-47-3
Multi CAS
Yes
Molecular Formula
C8H14O4S
Molecular Weight
206.260000
Exact Mass
206.061280
InChI
InChI=1S/C8H14O4S/c1-3-11-7(9)5-13-6-8(10)12-4-2/h3-6H2,1-2H3
InChIKey
TVCSSJHLVLMADJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.75
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
50.59
TPSA
52.6

LogP / Solubility

WLOGP
0.85
MLOGP
0.75
XLogP3
1.5
Consensus LogP
1.03
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately 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)
-3.38

Drug-likeness / Medicinal Chemistry

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

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