CAS RN: 330-17-6
4-(Trifluoromethylthio)benzoic Acid
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250327 | 100g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250722 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20260419 | 1g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250925 | 1g | In stock | Shanghai, Shandong, Chongqing | Inquiry |
| Batchno.20250921 | 25g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250211 | 25g | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20250829 | 500g | Out of stock | Inquiry | |
| Batchno.20250511 | 5g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260320 | 5g | In stock | Shandong | Inquiry |
- Product code: SSC-138822
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 | Beijing | Inquiry |
330-17-6 / 4-(trifluoromethylsulfanyl)benzoic acid
Basic Information
CAS
330-17-6
Multi CAS
Yes
Molecular Formula
C8F3H5O2S
Molecular Weight
222.190000
Exact Mass
221.996235
InChI
InChI=1S/C8H5F3O2S/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
InChIKey
UMOGQQWVQUQTQA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.31
TPSA
37.3
LogP / Solubility
WLOGP
3
MLOGP
2.64
XLogP3
3.9
Consensus LogP
3.18
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly 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)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
