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CAS 40015-15-4 (Methylthio)acetaldehyde Dimethyl Acetal molecular structure lightbox
CAS RN: 40015-15-4

(Methylthio)acetaldehyde Dimethyl Acetal

  • Product code: SSC-147886
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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: ≥98%
  • 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 40015-15-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

40015-15-4 / 1,1-dimethoxy-2-methylsulfanylethane

Standard CAS: 40015-15-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40015-15-4
Multi CAS
No
Molecular Formula
C5H12O2S
Molecular Weight
136.210000
Exact Mass
136.055801
InChI
InChI=1S/C5H12O2S/c1-6-5(7-2)4-8-3/h5H,4H2,1-3H3
InChIKey
DVOAQLUDKIFSNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
36.19
TPSA
18.46

LogP / Solubility

WLOGP
0.97
MLOGP
0.84
XLogP3
0.7
Consensus LogP
0.84
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
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)
-2.86

Drug-likeness / Medicinal Chemistry

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

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