CAS RN: 80548-40-9
Tetrahydrothiophene-2-Carboxylic Acid 1,1-Dioxide
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-189345
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: 0.1g, 0.25g, 1g, 5g, 10g
- 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 |
|---|---|---|---|---|
| 0.1g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 1 In Stock | Beijing | Inquiry |
| 10g | >95% | 0 Out of Stock | Beijing | Inquiry |
80548-40-9 / 1,1-dioxothiolane-2-carboxylic acid
Basic Information
CAS
80548-40-9
Multi CAS
Yes
Molecular Formula
C5H8O4S
Molecular Weight
164.180000
Exact Mass
164.014330
InChI
InChI=1S/C5H8O4S/c6-5(7)4-2-1-3-10(4,8)9/h4H,1-3H2,(H,6,7)
InChIKey
TTZCAAIAOJHFIM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.44
TPSA
71.44
LogP / Solubility
WLOGP
-0.35
MLOGP
-0.31
XLogP3
0.3
Consensus LogP
-0.12
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.56
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)
-3.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione
- CAS RN: 80563-77-5
- Product Code: SSC-189346
-
-
-
3-ethyl-1,1,2-trimethyl-1H-benzo[e]indol-3-ium iodide
- CAS RN: 80566-25-2
- Product Code: SSC-189351
-
-
![CAS 80566-25-2 3-ethyl-1,1,2-trimethyl-1H-benzo[e]indol-3-ium iodide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/80566-25-2.gif)
