CAS RN: 25112-68-9
2-THIOPHENECARBOXYLIC ACID SODIUM SALT
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250516 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250517 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20250817 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250620 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20260415 | 5g | In stock | Shanghai, Shenzhen | Inquiry |
- Product code: SSC-120677
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: 100g
- 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 |
|---|---|---|---|---|
| 100g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
25112-68-9 / sodium thiophene-2-carboxylate
Basic Information
CAS
25112-68-9
Multi CAS
No
Molecular Formula
C5H3NaO2S
Molecular Weight
150.130000
Exact Mass
149.975145
SMILES
C1=CSC(=C1)C(=O)[O-].[Na+]
InChI
InChI=1S/C5H4O2S.Na/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+1/p-1
InChIKey
LKYIPGJOXSVWPX-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
28.65
TPSA
40.13
LogP / Solubility
WLOGP
-2.88
MLOGP
-2.54
XLogP3
-2.88
Consensus LogP
-2.77
Log S (ESOL)
0.7
Class (ESOL)
Highly soluble
Log S (Ali)
1.29
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.64
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.68
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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