3H-1,2-Benzoxathiole, 2,2-dioxide
TL;DR: 3H-1,2-Benzoxathiole, 2,2-dioxide (CAS 10284-44-3) is a chemical compound with molecular formula C7H6O3S and molecular weight 170.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3H-1,2λ6-benzoxathiole 2,2-dioxide
Also Known As: 3H-1,2-Benzoxathiole, 2,2-dioxide, 2-HTAS, 3H-1, 2,2-dioxide, 2-Hydroxy-alpha-toluenesulfonic acid sultone, AI3-61465
| Molecular Formula | C7H6O3S |
|---|---|
| Molecular Weight | 170.00 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.00377 |
| Heavy Atoms | 11 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 10284-44-3 |
|---|---|
| SMILES | C1C2=CC=CC=C2OS1(=O)=O |
| InChIKey | LSZOWIZRLIKGIU-UHFFFAOYSA-N |
Product Overview
3H-1,2-Benzoxathiole, 2,2-dioxide (CAS 10284-44-3), with molecular formula C7H6O3S and molecular weight 170.00 g/mol. IUPAC: 3H-1,2λ6-benzoxathiole 2,2-dioxide.
Chemical Property Profile of 3H-1,2-Benzoxathiole, 2,2-dioxide
Property Insights of 3H-1,2-Benzoxathiole, 2,2-dioxide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,2-Benzoxathiole, 2,2-dioxide. With a topological polar surface area (TPSA) of 51.8 Ų, 3H-1,2-Benzoxathiole, 2,2-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,2-Benzoxathiole, 2,2-dioxide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3H-1,2-Benzoxathiole, 2,2-dioxide?
The CAS number of 3H-1,2-Benzoxathiole, 2,2-dioxide is 10284-44-3.
What is the molecular formula of 3H-1,2-Benzoxathiole, 2,2-dioxide?
The molecular formula of 3H-1,2-Benzoxathiole, 2,2-dioxide is C7H6O3S.
What is the molecular weight of 3H-1,2-Benzoxathiole, 2,2-dioxide?
The molecular weight of 3H-1,2-Benzoxathiole, 2,2-dioxide is 170.00 g/mol.
Where can I buy 3H-1,2-Benzoxathiole, 2,2-dioxide?
You can request a quote for 3H-1,2-Benzoxathiole, 2,2-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,2-Benzoxathiole, 2,2-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,2-Benzoxathiole, 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.