![CAS 2098784-70-2 2-(6-Oxo-5,6-dihydro-cyclopenta[b]thiophen-4-ylidene)-malononitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2098784-70-2.png)
CAS RN: 2098784-70-2
2-(6-Oxo-5,6-dihydro-cyclopenta[b]thiophen-4-ylidene)-malononitrile
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.20260520 | 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-099785
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
2098784-70-2 / 2-(6-oxocyclopenta[b]thiophen-4-ylidene)propanedinitrile
Basic Information
CAS
2098784-70-2
Multi CAS
No
Molecular Formula
C10H4N2OS
Molecular Weight
200.220000
Exact Mass
200.004434
SMILES
C1C(=C(C#N)C#N)C2=C(C1=O)SC=C2
InChI
InChI=1S/C10H4N2OS/c11-4-6(5-12)8-3-9(13)10-7(8)1-2-14-10/h1-2H,3H2
InChIKey
HDHQGIWTIHTYRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.1
H-bond acceptors
4
Molar refractivity
51.41
TPSA
64.65
LogP / Solubility
WLOGP
2.14
MLOGP
1.88
XLogP3
1.1
Consensus LogP
1.71
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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