CAS RN: 78872-75-0
Ethanethioic acid, S-(1-ethoxyethyl) ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251227 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-188146
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
78872-75-0 / S-(1-ethoxyethyl) ethanethioate
Basic Information
CAS
78872-75-0
Multi CAS
No
Molecular Formula
C6H12O2S
Molecular Weight
148.230000
Exact Mass
148.055801
InChI
InChI=1S/C6H12O2S/c1-4-8-6(3)9-5(2)7/h6H,4H2,1-3H3
InChIKey
FXELKEYJYUDGCZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
39.36
TPSA
26.3
LogP / Solubility
WLOGP
1.65
MLOGP
1.44
XLogP3
1.4
Consensus LogP
1.5
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.35
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)
-2.45
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
2
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