CAS RN: 131106-70-2
6-TRIFLUOROMETHYLBENZOTHIAZOLE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251121 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 15 business days | Inquiry |
- Product code: SSC-037780
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
131106-70-2 / 6-(trifluoromethyl)-1,3-benzothiazole
Basic Information
CAS
131106-70-2
Multi CAS
No
Molecular Formula
C8H4F3NS
Molecular Weight
203.190000
Exact Mass
203.001655
SMILES
C1=CC2=C(C=C1C(F)(F)F)SC=N2
InChI
InChI=1S/C8H4F3NS/c9-8(10,11)5-1-2-6-7(3-5)13-4-12-6/h1-4H
InChIKey
BULNNISVPSQIFO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
44.62
TPSA
12.89
LogP / Solubility
WLOGP
3.32
MLOGP
2.92
XLogP3
2.9
Consensus LogP
3.05
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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