Thiepin, 4,5-didehydro-2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-, 1,1-oxide
TL;DR: Thiepin, 4,5-didehydro-2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-, 1,1-oxide (CAS 72447-65-5) is a chemical compound with molecular formula C10H16O2S and molecular weight 200.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,7,7-tetramethyl-1λ6-thiacyclohept-4-yne 1,1-dioxide
Also Known As: 2,2,7,7-tetramethyl-1, Thiepin, 4,5-didehydro-2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-, 1,1-oxide, Thiepin, 4,5-didehydro-2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-1,1-oxide, 2,2,7,7-Tetramethyl-4,5-didehydro-2,3,6,7-tetrahydro-1H-1lambda~6~-thiepine-1,1-dione
| Molecular Formula | C10H16O2S |
|---|---|
| Molecular Weight | 200.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.0871 |
| Heavy Atoms | 13 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 72447-65-5 |
|---|---|
| SMILES | CC1(CC#CCC(S1(=O)=O)(C)C)C |
| InChIKey | QXJBEKVTZYXXKI-UHFFFAOYSA-N |
Product Overview
Thiepin, 4,5-didehydro-2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-, 1,1-oxide (CAS 72447-65-5), with molecular formula C10H16O2S and molecular weight 200.09 g/mol. IUPAC: 2,2,7,7-tetramethyl-1λ6-thiacyclohept-4-yne 1,1-dioxide.
Chemical Property Profile of Thiepin, 4,5-didehydro-2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-, 1,1-oxide
Property Insights of Thiepin, 4,5-didehydro-2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-, 1,1-oxide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiepin, 4,5-didehydro-2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-, 1,1-oxide. With a topological polar surface area (TPSA) of 42.5 Ų, Thiepin, 4,5-didehydro-2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-, 1,1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiepin, 4,5-didehydro-2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-, 1,1-oxide 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, 4,5-didehydro-2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-, 1,1-oxide?
The CAS number of Thiepin, 4,5-didehydro-2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-, 1,1-oxide is 72447-65-5.
What is the molecular formula of Thiepin, 4,5-didehydro-2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-, 1,1-oxide?
The molecular formula of Thiepin, 4,5-didehydro-2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-, 1,1-oxide is C10H16O2S.
What is the molecular weight of Thiepin, 4,5-didehydro-2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-, 1,1-oxide?
The molecular weight of Thiepin, 4,5-didehydro-2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-, 1,1-oxide is 200.09 g/mol.
Where can I buy Thiepin, 4,5-didehydro-2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-, 1,1-oxide?
You can request a quote for Thiepin, 4,5-didehydro-2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-, 1,1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiepin, 4,5-didehydro-2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-, 1,1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Thiepin, 4,5-didehydro-2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-, 1,1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.