Thiepin, 2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-1,1-dioxide
TL;DR: Thiepin, 2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-1,1-dioxide (CAS 86596-79-4) is a chemical compound with molecular formula C10H18O2S and molecular weight 202.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,6,6-tetramethyl-2,7-dihydrothiepine 1,1-dioxide
Also Known As: Thiepin, 2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-1,1-dioxide, 3,3,6,6-tetramethyl-2,7-dihydrothiepine 1,1-dioxide, 2,3,6,7-Tetrahydro-3,3,6,6-tetramethylthiepin-1,1-dioxide, 3,3,6,6-Tetramethyl-2,3,6,7-tetrahydro-1H-1lambda~6~-thiepine-1,1-dione
| Molecular Formula | C10H18O2S |
|---|---|
| Molecular Weight | 202.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 202.10275 |
| Heavy Atoms | 13 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 86596-79-4 |
|---|---|
| SMILES | CC1(CS(=O)(=O)CC(C=C1)(C)C)C |
| InChIKey | IECOJFJQIZQAFO-UHFFFAOYSA-N |
Product Overview
Thiepin, 2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-1,1-dioxide (CAS 86596-79-4), with molecular formula C10H18O2S and molecular weight 202.10 g/mol. IUPAC: 3,3,6,6-tetramethyl-2,7-dihydrothiepine 1,1-dioxide.
Chemical Property Profile of Thiepin, 2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-1,1-dioxide
Property Insights of Thiepin, 2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-1,1-dioxide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiepin, 2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-1,1-dioxide. With a topological polar surface area (TPSA) of 42.5 Ų, Thiepin, 2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiepin, 2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-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 Thiepin, 2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-1,1-dioxide?
The CAS number of Thiepin, 2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-1,1-dioxide is 86596-79-4.
What is the molecular formula of Thiepin, 2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-1,1-dioxide?
The molecular formula of Thiepin, 2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-1,1-dioxide is C10H18O2S.
What is the molecular weight of Thiepin, 2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-1,1-dioxide?
The molecular weight of Thiepin, 2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-1,1-dioxide is 202.10 g/mol.
Where can I buy Thiepin, 2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-1,1-dioxide?
You can request a quote for Thiepin, 2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-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 Thiepin, 2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Thiepin, 2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.