2-苯基-1,3-氧硫杂环戊烷
TL;DR: 2-苯基-1,3-氧硫杂环戊烷 (CAS 5721-88-0) is a chemical compound with molecular formula C9H10OS and molecular weight 166.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-苯基-1,3-氧硫杂环戊烷
2-phenyl-1,3-oxathiolane
Also Known As: 2-Phenyl-1,3-oxathiolane, 1,3-Oxathiolane, 2-phenyl-, 2-phenyl-1, 3-oxathiolane, Benzaldehyde O,S-ethylenethioacetal, 1-(1,3-Oxathiolane-2-yl)benzene
| Molecular Formula | C9H10OS |
|---|---|
| Molecular Weight | 166.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.04524 |
| Heavy Atoms | 11 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 5721-88-0 |
|---|---|
| SMILES | C1CSC(O1)C2=CC=CC=C2 |
| InChIKey | ZEBCRXPJGNVRKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-苯基-1,3-氧硫杂环戊烷 (CAS 5721-88-0), with molecular formula C9H10OS and molecular weight 166.05 g/mol. IUPAC: 2-phenyl-1,3-oxathiolane.
Chemical Property Profile of 2-苯基-1,3-氧硫杂环戊烷
Property Insights of 2-苯基-1,3-氧硫杂环戊烷
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-苯基-1,3-氧硫杂环戊烷. With a topological polar surface area (TPSA) of 34.5 Ų, 2-苯基-1,3-氧硫杂环戊烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-苯基-1,3-氧硫杂环戊烷 has 0 hydrogen bond donor(s) and 2 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 2-苯基-1,3-氧硫杂环戊烷?
The CAS number of 2-苯基-1,3-氧硫杂环戊烷 is 5721-88-0.
What is the molecular formula of 2-苯基-1,3-氧硫杂环戊烷?
The molecular formula of 2-苯基-1,3-氧硫杂环戊烷 is C9H10OS.
What is the molecular weight of 2-苯基-1,3-氧硫杂环戊烷?
The molecular weight of 2-苯基-1,3-氧硫杂环戊烷 is 166.05 g/mol.
Where can I buy 2-苯基-1,3-氧硫杂环戊烷?
You can request a quote for 2-苯基-1,3-氧硫杂环戊烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-苯基-1,3-氧硫杂环戊烷?
Yes, KEHONG BIO provides custom synthesis services for 2-苯基-1,3-氧硫杂环戊烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.