4-phenyl-2H-thiete 1,1-dioxide
TL;DR: 4-phenyl-2H-thiete 1,1-dioxide (CAS 7113-79-3) is a chemical compound with molecular formula C9H8O2S and molecular weight 180.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-2H-thiete 1,1-dioxide
Also Known As: 4-phenyl-2H-thiete 1,1-dioxide, 2H-Thiete, 4-phenyl-, 1,1-dioxide, 4-Phenyl-1lambda~6~-thiete-1,1(2H)-dione, RefChem:295463
| Molecular Formula | C9H8O2S |
|---|---|
| Molecular Weight | 180.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.0245 |
| Heavy Atoms | 12 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 7113-79-3 |
|---|---|
| SMILES | C1C=C(S1(=O)=O)C2=CC=CC=C2 |
| InChIKey | KAVWZMAVBDRDPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-phenyl-2H-thiete 1,1-dioxide (CAS 7113-79-3), with molecular formula C9H8O2S and molecular weight 180.02 g/mol. IUPAC: 4-phenyl-2H-thiete 1,1-dioxide.
Chemical Property Profile of 4-phenyl-2H-thiete 1,1-dioxide
Property Insights of 4-phenyl-2H-thiete 1,1-dioxide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-phenyl-2H-thiete 1,1-dioxide. With a topological polar surface area (TPSA) of 42.5 Ų, 4-phenyl-2H-thiete 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-phenyl-2H-thiete 1,1-dioxide 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 4-phenyl-2H-thiete 1,1-dioxide?
The CAS number of 4-phenyl-2H-thiete 1,1-dioxide is 7113-79-3.
What is the molecular formula of 4-phenyl-2H-thiete 1,1-dioxide?
The molecular formula of 4-phenyl-2H-thiete 1,1-dioxide is C9H8O2S.
What is the molecular weight of 4-phenyl-2H-thiete 1,1-dioxide?
The molecular weight of 4-phenyl-2H-thiete 1,1-dioxide is 180.02 g/mol.
Where can I buy 4-phenyl-2H-thiete 1,1-dioxide?
You can request a quote for 4-phenyl-2H-thiete 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-phenyl-2H-thiete 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 4-phenyl-2H-thiete 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.