3-Phenyltetrahydrothiophene 1,1-dioxide
TL;DR: 3-Phenyltetrahydrothiophene 1,1-dioxide (CAS 16766-64-6) is a chemical compound with molecular formula C10H12O2S and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylthiolane 1,1-dioxide
Also Known As: 3-phenylsulfolane, 3-Phenyltetrahydrothiophene 1,1-dioxide, 3-phenylthiolane 1,1-dioxide, 3-phenylthiolane-1,1-dione, 3-Phenylthiolane,S,S-dioxide
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 16766-64-6 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1C2=CC=CC=C2 |
| InChIKey | LKPQZMTWAPOZMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenyltetrahydrothiophene 1,1-dioxide (CAS 16766-64-6), with molecular formula C10H12O2S and molecular weight 196.06 g/mol. IUPAC: 3-phenylthiolane 1,1-dioxide.
Chemical Property Profile of 3-Phenyltetrahydrothiophene 1,1-dioxide
Property Insights of 3-Phenyltetrahydrothiophene 1,1-dioxide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyltetrahydrothiophene 1,1-dioxide. With a topological polar surface area (TPSA) of 42.5 Ų, 3-Phenyltetrahydrothiophene 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyltetrahydrothiophene 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 3-Phenyltetrahydrothiophene 1,1-dioxide?
The CAS number of 3-Phenyltetrahydrothiophene 1,1-dioxide is 16766-64-6.
What is the molecular formula of 3-Phenyltetrahydrothiophene 1,1-dioxide?
The molecular formula of 3-Phenyltetrahydrothiophene 1,1-dioxide is C10H12O2S.
What is the molecular weight of 3-Phenyltetrahydrothiophene 1,1-dioxide?
The molecular weight of 3-Phenyltetrahydrothiophene 1,1-dioxide is 196.06 g/mol.
Where can I buy 3-Phenyltetrahydrothiophene 1,1-dioxide?
You can request a quote for 3-Phenyltetrahydrothiophene 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 3-Phenyltetrahydrothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyltetrahydrothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.