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CAS 3746-39-2 LAURYL THIOGLYCOLATE molecular structure lightbox
CAS RN: 3746-39-2

LAURYL THIOGLYCOLATE

  • Product code: SSC-144786
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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: 5g
  • 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 3746-39-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

3746-39-2 / dodecyl 2-sulfanylacetate

Standard CAS: 3746-39-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3746-39-2
Multi CAS
No
Molecular Formula
C14H28O2S
Molecular Weight
260.440000
Exact Mass
260.181001
InChI
InChI=1S/C14H28O2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17/h17H,2-13H2,1H3
InChIKey
TVMDUMQNXXNGMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.93
Rotatable bonds
12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.66
TPSA
26.3

LogP / Solubility

WLOGP
4.38
MLOGP
3.86
XLogP3
5.9
Consensus LogP
4.71
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.43
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.2

Drug-likeness / Medicinal Chemistry

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

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