CAS RN: 21806-61-1
1-Propene 1,3-Sultone
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: SSC-105183
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: 1g, 5g, 10g, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 3
- 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 |
|---|---|---|---|---|
| 1g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥98% | 3 In Stock | Beijing | Inquiry |
| 10g | ≥98% | 2 In Stock | Hong Kong | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
21806-61-1 / 5H-oxathiole 2,2-dioxide
Basic Information
CAS
21806-61-1
Multi CAS
No
Molecular Formula
C3H4O3S
Molecular Weight
120.130000
Exact Mass
119.988115
SMILES
C1C=CS(=O)(=O)O1
InChI
InChI=1S/C3H4O3S/c4-7(5)3-1-2-6-7/h1,3H,2H2
InChIKey
KLLQVNFCMHPYGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.33
H-bond acceptors
3
Molar refractivity
24.01
TPSA
43.37
LogP / Solubility
WLOGP
-0.14
MLOGP
-0.13
XLogP3
-0.3
Consensus LogP
-0.19
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.44
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.32
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)
-3.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
-
Ethyl O-Mesitylsulfonylacetohydroxamate [Precursor of the Powerful Aminating Reagent]
- CAS RN: 38202-27-6
- Product Code: SSC-145733
-
![CAS 38202-27-6 Ethyl O-Mesitylsulfonylacetohydroxamate [Precursor of the Powerful Aminating Reagent] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m1182-jpgcontextbwfzdgvyfhjvb3r8mjk5mzb8aw1hz2uvanblz3xoodyvagy4lzg5mzezodgymjc2mtqvttexodiuanbnfda4nzq4m2jmzmvkzmjln2jkmmjhmzq2zjfmnme5zdhhmtm1nwe4yju5odrkzdkwowe3odjhywjlmmi3ythkztc.jpeg)
