![CAS 98733-09-6 6-METHOXYBENZO[B]THIOPHENE 1,1-DIOXIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB93147583.gif)
CAS RN: 98733-09-6
6-METHOXYBENZO[B]THIOPHENE 1,1-DIOXIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250215 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-212815
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
98733-09-6 / 6-methoxy-1-benzothiophene 1,1-dioxide
Basic Information
CAS
98733-09-6
Multi CAS
No
Molecular Formula
C9H8O3S
Molecular Weight
196.220000
Exact Mass
196.019415
InChI
InChI=1S/C9H8O3S/c1-12-8-3-2-7-4-5-13(10,11)9(7)6-8/h2-6H,1H3
InChIKey
RAMNSGUBDQGSMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
49.21
TPSA
43.37
LogP / Solubility
WLOGP
1.45
MLOGP
1.28
XLogP3
0.9
Consensus LogP
1.21
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately 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)
-2.89
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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