1,2,3-Benzoxadithiole 2-oxide
TL;DR: 1,2,3-Benzoxadithiole 2-oxide (CAS 77825-98-0) is a chemical compound with molecular formula C6H4O2S2 and molecular weight 171.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2λ4,3-benzoxadithiole 2-oxide
Also Known As: 1,2,3-Benzoxadithiole 2-oxide, benzo[d]oxadithiole 2-oxide, 1,2,3-Benzoxadithiole,2-oxide, 1,2,3-benzoxadithiole-2-oxide, 1,2
| Molecular Formula | C6H4O2S2 |
|---|---|
| Molecular Weight | 171.97 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.96527 |
| Heavy Atoms | 10 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 77825-98-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)OS(=O)S2 |
| InChIKey | UPOJGBFMHWVGSU-UHFFFAOYSA-N |
Product Overview
1,2,3-Benzoxadithiole 2-oxide (CAS 77825-98-0), with molecular formula C6H4O2S2 and molecular weight 171.97 g/mol. IUPAC: 1,2λ4,3-benzoxadithiole 2-oxide.
Chemical Property Profile of 1,2,3-Benzoxadithiole 2-oxide
Property Insights of 1,2,3-Benzoxadithiole 2-oxide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Benzoxadithiole 2-oxide. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Benzoxadithiole 2-oxide. Following Lipinski's Rule of Five, 1,2,3-Benzoxadithiole 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 1,2,3-Benzoxadithiole 2-oxide?
The CAS number of 1,2,3-Benzoxadithiole 2-oxide is 77825-98-0.
What is the molecular formula of 1,2,3-Benzoxadithiole 2-oxide?
The molecular formula of 1,2,3-Benzoxadithiole 2-oxide is C6H4O2S2.
What is the molecular weight of 1,2,3-Benzoxadithiole 2-oxide?
The molecular weight of 1,2,3-Benzoxadithiole 2-oxide is 171.97 g/mol.
Where can I buy 1,2,3-Benzoxadithiole 2-oxide?
You can request a quote for 1,2,3-Benzoxadithiole 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Benzoxadithiole 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Benzoxadithiole 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.