![CAS 31486-86-9 Thieno[3,2-b]thiophene-2-carboxaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/31486-86-9.gif)
CAS RN: 31486-86-9
Thieno[3,2-b]thiophene-2-carboxaldehyde
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260108 | 250mg / 1g / 5g | Confirm by inquiry | Shandong | Inquiry |
- Product code: SSC-136877
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: ≥97%
- 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 |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
31486-86-9 / thieno[3,2-b]thiophene-5-carbaldehyde
Basic Information
CAS
31486-86-9
Multi CAS
No
Molecular Formula
C7H4OS2
Molecular Weight
168.200000
Exact Mass
167.970357
InChI
InChI=1S/C7H4OS2/c8-4-5-3-7-6(10-5)1-2-9-7/h1-4H
InChIKey
JKVPCDAKZCFJBU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
8
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
45.09
TPSA
17.07
LogP / Solubility
WLOGP
2.78
MLOGP
2.44
XLogP3
2.5
Consensus LogP
2.57
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78
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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