3H-2,1-苯并氧硫杂环戊烯1,1-二氧化物
TL;DR: 3H-2,1-苯并氧硫杂环戊烯1,1-二氧化物 (CAS 4430-23-3) 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-2,1-苯并氧硫杂环戊烯1,1-二氧化物
3H-2,1λ6-benzoxathiole 1,1-dioxide
Also Known As: 3H-2,1-Benzoxathiole 1,1-dioxide, 3H-2,1lambda6-benzoxathiole-1,1-dione, 3H-2,1-benzoxathiole1,1-dioxide, 3H-2,1lambda6-benzoxathiole 1,1-dioxide, 3h-2,1-benzoxathiole-1,1-dioxide
| Molecular Formula | C7H6O3S |
|---|---|
| Molecular Weight | 170.00 g/mol |
| LogP | 0.8 |
| 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 | 4430-23-3 |
|---|---|
| SMILES | C1C2=CC=CC=C2S(=O)(=O)O1 |
| InChIKey | SDJPPXJZWJEAPT-UHFFFAOYSA-N |
Product Overview
3H-2,1-苯并氧硫杂环戊烯1,1-二氧化物 (CAS 4430-23-3), with molecular formula C7H6O3S and molecular weight 170.00 g/mol. IUPAC: 3H-2,1λ6-benzoxathiole 1,1-dioxide.
Chemical Property Profile of 3H-2,1-苯并氧硫杂环戊烯1,1-二氧化物
Property Insights of 3H-2,1-苯并氧硫杂环戊烯1,1-二氧化物
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-2,1-苯并氧硫杂环戊烯1,1-二氧化物. With a topological polar surface area (TPSA) of 51.8 Ų, 3H-2,1-苯并氧硫杂环戊烯1,1-二氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-2,1-苯并氧硫杂环戊烯1,1-二氧化物 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-2,1-苯并氧硫杂环戊烯1,1-二氧化物?
The CAS number of 3H-2,1-苯并氧硫杂环戊烯1,1-二氧化物 is 4430-23-3.
What is the molecular formula of 3H-2,1-苯并氧硫杂环戊烯1,1-二氧化物?
The molecular formula of 3H-2,1-苯并氧硫杂环戊烯1,1-二氧化物 is C7H6O3S.
What is the molecular weight of 3H-2,1-苯并氧硫杂环戊烯1,1-二氧化物?
The molecular weight of 3H-2,1-苯并氧硫杂环戊烯1,1-二氧化物 is 170.00 g/mol.
Where can I buy 3H-2,1-苯并氧硫杂环戊烯1,1-二氧化物?
You can request a quote for 3H-2,1-苯并氧硫杂环戊烯1,1-二氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-2,1-苯并氧硫杂环戊烯1,1-二氧化物?
Yes, KEHONG BIO provides custom synthesis services for 3H-2,1-苯并氧硫杂环戊烯1,1-二氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.