![CAS 40985-58-8 Thieno[3,2-b]thiophene-2-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3221-jpgcontextbwfzdgvyfhjvb3r8mzizmth8aw1hz2uvanblz3xoywqvady5lzg5mzi2nju5odmwmdyvvdmymjeuanbnfdeyy2nmytjknzrmyti4mtg2nzq1mdexnja3ogywy2uxywyymgnjngy1odq2ntfhzmi2ngm4mwjhmdvhnmzlztq.jpeg)
CAS RN: 40985-58-8
Thieno[3,2-b]thiophene-2-carbonitrile
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-149373
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 | Beijing | Inquiry |
40985-58-8 / thieno[3,2-b]thiophene-5-carbonitrile
Basic Information
CAS
40985-58-8
Multi CAS
No
Molecular Formula
C7H3NS2
Molecular Weight
165.200000
Exact Mass
164.970691
InChI
InChI=1S/C7H3NS2/c8-4-5-3-7-6(10-5)1-2-9-7/h1-3H
InChIKey
UPRBPGCXCNBTQH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
8
H-bond acceptors
3
Molar refractivity
44.42
TPSA
23.79
LogP / Solubility
WLOGP
2.83
MLOGP
2.49
XLogP3
2.8
Consensus LogP
2.71
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
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)
-1.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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