CAS RN: 2689-68-1
METHYL 4-OXOTETRAHYDROTHIOPHENE-3-CARBOXYLATE
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251215 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20260528 | 100mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250820 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20250830 | 1g | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20250115 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250129 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20251129 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-125286
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 100g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 25g | ≥95% | 4 In Stock | Shenzhen | Inquiry |
| 100g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2689-68-1 / methyl 4-oxothiolane-3-carboxylate
Basic Information
CAS
2689-68-1
Multi CAS
No
Molecular Formula
C6H8O3S
Molecular Weight
160.190000
Exact Mass
160.019415
SMILES
COC(=O)C1CSCC1=O
InChI
InChI=1S/C6H8O3S/c1-9-6(8)4-2-10-3-5(4)7/h4H,2-3H2,1H3
InChIKey
LEAKUJFYXNILRB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
37.84
TPSA
43.37
LogP / Solubility
WLOGP
0.09
MLOGP
0.08
XLogP3
0.5
Consensus LogP
0.22
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very 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)
-3.63
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
2
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