1,3,2-Benzodioxathiole, 2-oxide
TL;DR: 1,3,2-Benzodioxathiole, 2-oxide (CAS 6255-58-9) is a chemical compound with molecular formula C6H4O3S and molecular weight 155.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,2λ4-benzodioxathiole 2-oxide
Also Known As: o-Phenylene sulfite, Pyrocatechol sulfite, Pyrocatechol, cyclic sulfite, 1,3,2-Benzodioxathiole, 2-oxide, Pyrocatechol cyclic sulfite
| Molecular Formula | C6H4O3S |
|---|---|
| Molecular Weight | 155.99 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 155.98811 |
| Heavy Atoms | 10 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 6255-58-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)OS(=O)O2 |
| InChIKey | IOODIIRXODOLHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,2-Benzodioxathiole, 2-oxide (CAS 6255-58-9), with molecular formula C6H4O3S and molecular weight 155.99 g/mol. IUPAC: 1,3,2λ4-benzodioxathiole 2-oxide.
Chemical Property Profile of 1,3,2-Benzodioxathiole, 2-oxide
Property Insights of 1,3,2-Benzodioxathiole, 2-oxide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,2-Benzodioxathiole, 2-oxide. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,2-Benzodioxathiole, 2-oxide. Following Lipinski's Rule of Five, 1,3,2-Benzodioxathiole, 2-oxide has 0 hydrogen bond donor(s) and 4 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 1,3,2-Benzodioxathiole, 2-oxide?
The CAS number of 1,3,2-Benzodioxathiole, 2-oxide is 6255-58-9.
What is the molecular formula of 1,3,2-Benzodioxathiole, 2-oxide?
The molecular formula of 1,3,2-Benzodioxathiole, 2-oxide is C6H4O3S.
What is the molecular weight of 1,3,2-Benzodioxathiole, 2-oxide?
The molecular weight of 1,3,2-Benzodioxathiole, 2-oxide is 155.99 g/mol.
Where can I buy 1,3,2-Benzodioxathiole, 2-oxide?
You can request a quote for 1,3,2-Benzodioxathiole, 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,2-Benzodioxathiole, 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1,3,2-Benzodioxathiole, 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.