CAS RN: 2320491-72-1
tetrafluorothianthrene S-oxide
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-112775
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 | Hong Kong | Inquiry |
2320491-72-1 / 2,3,7,8-tetrafluorothianthrene 5-oxide
Basic Information
CAS
2320491-72-1
Multi CAS
No
Molecular Formula
C12H4F4OS2
Molecular Weight
304.300000
Exact Mass
303.963970
SMILES
C1=C(C(=CC2=C1SC3=C(S2=O)C=C(C(=C3)F)F)F)F
InChI
InChI=1S/C12H4F4OS2/c13-5-1-9-11(3-7(5)15)19(17)12-4-8(16)6(14)2-10(12)18-9/h1-4H
InChIKey
FJNMYEBXFNFTBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
H-bond acceptors
2
Molar refractivity
61.51
TPSA
17.07
LogP / Solubility
WLOGP
3.87
MLOGP
3.42
XLogP3
3.3
Consensus LogP
3.53
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83
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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