CAS RN: 33898-90-7
3-Oxo-3-(2-thienyl)propanenitrile
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250101 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250608 | 1g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20260131 | 25g | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20251212 | 500g | Out of stock | Inquiry | |
| Batchno.20250425 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
- Product code: SSC-140067
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: ＞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 |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
33898-90-7 / 3-oxo-3-thiophen-2-ylpropanenitrile
Basic Information
CAS
33898-90-7
Multi CAS
No
Molecular Formula
C7H5NOS
Molecular Weight
151.190000
Exact Mass
151.009185
InChI
InChI=1S/C7H5NOS/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5H,3H2
InChIKey
XWWUQBHVRILEPB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
38.88
TPSA
40.86
LogP / Solubility
WLOGP
1.84
MLOGP
1.62
XLogP3
1.1
Consensus LogP
1.52
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
