3-(3,4-Dimethylphenyl)thiolane-1,1-dione
TL;DR: 3-(3,4-Dimethylphenyl)thiolane-1,1-dione (CAS 321580-63-6) is a chemical compound with molecular formula C12H16O2S and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethylphenyl)thiolane 1,1-dioxide
Also Known As: 3-(3,4-dimethylphenyl)thiolane 1,1-dioxide, 3-(3,4-dimethylphenyl)thiolane-1,1-dione, 3-(3,4-dimethylphenyl)-1??-thiolane-1,1-dione, 3-(3,4-dimethylphenyl)tetrahydrothiophene 1,1-dioxide
| Molecular Formula | C12H16O2S |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 2.20554 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.0871 |
| Heavy Atoms | 15 |
| Complexity | 474.39554 |
Chemical Identifiers
| CAS Number | 321580-63-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2CCS(=O)(=O)C2)C |
Product Overview
3-(3,4-Dimethylphenyl)thiolane-1,1-dione (CAS 321580-63-6), with molecular formula C12H16O2S and molecular weight 224.09 g/mol. IUPAC: 3-(3,4-dimethylphenyl)thiolane 1,1-dioxide.
Chemical Property Profile of 3-(3,4-Dimethylphenyl)thiolane-1,1-dione
Property Insights of 3-(3,4-Dimethylphenyl)thiolane-1,1-dione
The XLogP value of 2.20554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dimethylphenyl)thiolane-1,1-dione. With a topological polar surface area (TPSA) of 34.14 Ų, 3-(3,4-Dimethylphenyl)thiolane-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethylphenyl)thiolane-1,1-dione 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-(3,4-Dimethylphenyl)thiolane-1,1-dione?
The CAS number of 3-(3,4-Dimethylphenyl)thiolane-1,1-dione is 321580-63-6.
What is the molecular formula of 3-(3,4-Dimethylphenyl)thiolane-1,1-dione?
The molecular formula of 3-(3,4-Dimethylphenyl)thiolane-1,1-dione is C12H16O2S.
What is the molecular weight of 3-(3,4-Dimethylphenyl)thiolane-1,1-dione?
The molecular weight of 3-(3,4-Dimethylphenyl)thiolane-1,1-dione is 224.09 g/mol.
Where can I buy 3-(3,4-Dimethylphenyl)thiolane-1,1-dione?
You can request a quote for 3-(3,4-Dimethylphenyl)thiolane-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dimethylphenyl)thiolane-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethylphenyl)thiolane-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.