1-Hydroxy-3-(3-methylphenoxy)thiolan-1-one
TL;DR: 1-Hydroxy-3-(3-methylphenoxy)thiolan-1-one (CAS 53583-31-6) is a chemical compound with molecular formula C11H14O3S and molecular weight 226.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylphenoxy)thiolane 1,1-dioxide
Also Known As: 1-hydroxy-3-(3-methylphenoxy)thiolan-1-one, 3-(3-methylphenoxy)thiolane 1,1-dioxide, BAS 00617402, 3-(m-tolyloxy)tetrahydrothiophene 1,1-dioxide, 3-m-Tolyloxy-tetrahydro-thiophene 1,1-dioxide
| Molecular Formula | C11H14O3S |
|---|---|
| Molecular Weight | 226.07 g/mol |
| LogP | 1.56092 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.06636 |
| Heavy Atoms | 15 |
| Complexity | 450.65576 |
Chemical Identifiers
| CAS Number | 53583-31-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC2CCS(=O)(=O)C2 |
Product Overview
1-Hydroxy-3-(3-methylphenoxy)thiolan-1-one (CAS 53583-31-6), with molecular formula C11H14O3S and molecular weight 226.07 g/mol. IUPAC: 3-(3-methylphenoxy)thiolane 1,1-dioxide.
Chemical Property Profile of 1-Hydroxy-3-(3-methylphenoxy)thiolan-1-one
Property Insights of 1-Hydroxy-3-(3-methylphenoxy)thiolan-1-one
The XLogP value of 1.56092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroxy-3-(3-methylphenoxy)thiolan-1-one. With a topological polar surface area (TPSA) of 43.37 Ų, 1-Hydroxy-3-(3-methylphenoxy)thiolan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hydroxy-3-(3-methylphenoxy)thiolan-1-one 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 1-Hydroxy-3-(3-methylphenoxy)thiolan-1-one?
The CAS number of 1-Hydroxy-3-(3-methylphenoxy)thiolan-1-one is 53583-31-6.
What is the molecular formula of 1-Hydroxy-3-(3-methylphenoxy)thiolan-1-one?
The molecular formula of 1-Hydroxy-3-(3-methylphenoxy)thiolan-1-one is C11H14O3S.
What is the molecular weight of 1-Hydroxy-3-(3-methylphenoxy)thiolan-1-one?
The molecular weight of 1-Hydroxy-3-(3-methylphenoxy)thiolan-1-one is 226.07 g/mol.
Where can I buy 1-Hydroxy-3-(3-methylphenoxy)thiolan-1-one?
You can request a quote for 1-Hydroxy-3-(3-methylphenoxy)thiolan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxy-3-(3-methylphenoxy)thiolan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxy-3-(3-methylphenoxy)thiolan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.