4,5-Dihydrothiepin 1,1-dioxide
TL;DR: 4,5-Dihydrothiepin 1,1-dioxide (CAS 29520-87-4) is a chemical compound with molecular formula C6H8O2S and molecular weight 144.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dihydrothiepine 1,1-dioxide
Also Known As: 4,1-dioxide, 4,5-Dihydrothiepin 1,1-dioxide, 4,5-dihydrothiepine 1,1-dioxide, Thiepin,5-dihydro-, 1,1-dioxide, Thiepin, 4,5-dihydro-, 1,1-dioxide
| Molecular Formula | C6H8O2S |
|---|---|
| Molecular Weight | 144.02 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.0245 |
| Heavy Atoms | 9 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 29520-87-4 |
|---|---|
| SMILES | C1CC=CS(=O)(=O)C=C1 |
| InChIKey | FAQFAFHVYALEBP-UHFFFAOYSA-N |
Product Overview
4,5-Dihydrothiepin 1,1-dioxide (CAS 29520-87-4), with molecular formula C6H8O2S and molecular weight 144.02 g/mol. IUPAC: 4,5-dihydrothiepine 1,1-dioxide.
Chemical Property Profile of 4,5-Dihydrothiepin 1,1-dioxide
Property Insights of 4,5-Dihydrothiepin 1,1-dioxide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dihydrothiepin 1,1-dioxide. With a topological polar surface area (TPSA) of 42.5 Ų, 4,5-Dihydrothiepin 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dihydrothiepin 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 4,5-Dihydrothiepin 1,1-dioxide?
The CAS number of 4,5-Dihydrothiepin 1,1-dioxide is 29520-87-4.
What is the molecular formula of 4,5-Dihydrothiepin 1,1-dioxide?
The molecular formula of 4,5-Dihydrothiepin 1,1-dioxide is C6H8O2S.
What is the molecular weight of 4,5-Dihydrothiepin 1,1-dioxide?
The molecular weight of 4,5-Dihydrothiepin 1,1-dioxide is 144.02 g/mol.
Where can I buy 4,5-Dihydrothiepin 1,1-dioxide?
You can request a quote for 4,5-Dihydrothiepin 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 4,5-Dihydrothiepin 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydrothiepin 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.