3-Phenylthiolane
TL;DR: 3-Phenylthiolane (CAS 16766-62-4) is a chemical compound with molecular formula C10H12S and molecular weight 164.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylthiolane
Also Known As: 3-Phenylthiolane, 3-phenyl-thiolane, 3-Phenyltetrahydrothiophene, 3-phenyl-tetrahydro-thiophene, 3-Phenyltetrahydrothiophene #
| Molecular Formula | C10H12S |
|---|---|
| Molecular Weight | 164.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.06598 |
| Heavy Atoms | 11 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 16766-62-4 |
|---|---|
| SMILES | C1CSCC1C2=CC=CC=C2 |
| InChIKey | MMBMCZZLHYNDRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenylthiolane (CAS 16766-62-4), with molecular formula C10H12S and molecular weight 164.07 g/mol. IUPAC: 3-phenylthiolane.
Chemical Property Profile of 3-Phenylthiolane
Property Insights of 3-Phenylthiolane
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylthiolane. With a topological polar surface area (TPSA) of 25.3 Ų, 3-Phenylthiolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylthiolane has 0 hydrogen bond donor(s) and 1 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-Phenylthiolane?
The CAS number of 3-Phenylthiolane is 16766-62-4.
What is the molecular formula of 3-Phenylthiolane?
The molecular formula of 3-Phenylthiolane is C10H12S.
What is the molecular weight of 3-Phenylthiolane?
The molecular weight of 3-Phenylthiolane is 164.07 g/mol.
Where can I buy 3-Phenylthiolane?
You can request a quote for 3-Phenylthiolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylthiolane?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylthiolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.