3,7-Dimethyl-5,6,7,8-tetrahydro-1,2lambda6-benzoxathiine 2,2-dioxide
TL;DR: 3,7-Dimethyl-5,6,7,8-tetrahydro-1,2lambda6-benzoxathiine 2,2-dioxide (CAS 63549-11-1) is a chemical compound with molecular formula C10H14O3S and molecular weight 214.06636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dimethyl-5,6,7,8-tetrahydro-1,2λ6-benzoxathiine 2,2-dioxide
Also Known As: 3,7-dimethyl-5,6,7,8-tetrahydro-1,2, 1,2-Benzoxathiin, 5,6,7,8-tetrahydro-4,7-dimethyl-, 2,2-dioxide, 4,7-Dimethyl-1,2,5,6,7,8-hexahydro-1-oxa-2-thianaphthalene 2,2-dioxide
Technical Specifications
| Molecular Formula | C10H14O3S |
| Molecular Weight | 214.06636 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.06636 Da |
| Heavy Atoms | 14 |
| Complexity | 409.0 |
| SMILES | CC1CCC2=C(C1)OS(=O)(=O)C(=C2)C |
| InChIKey | CWOWZSGGRBFAGS-UHFFFAOYSA-N |
Chemical Property Profile of 3,7-Dimethyl-5,6,7,8-tetrahydro-1,2lambda6-benzoxathiine 2,2-dioxide
Property Insights of 3,7-Dimethyl-5,6,7,8-tetrahydro-1,2lambda6-benzoxathiine 2,2-dioxide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dimethyl-5,6,7,8-tetrahydro-1,2lambda6-benzoxathiine 2,2-dioxide. With a topological polar surface area (TPSA) of 51.8 Ų, 3,7-Dimethyl-5,6,7,8-tetrahydro-1,2lambda6-benzoxathiine 2,2-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethyl-5,6,7,8-tetrahydro-1,2lambda6-benzoxathiine 2,2-dioxide 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
What is the CAS number of 3,7-Dimethyl-5,6,7,8-tetrahydro-1,2lambda6-benzoxathiine 2,2-dioxide?
The CAS number of 3,7-Dimethyl-5,6,7,8-tetrahydro-1,2lambda6-benzoxathiine 2,2-dioxide is 63549-11-1.
What is the molecular formula of 3,7-Dimethyl-5,6,7,8-tetrahydro-1,2lambda6-benzoxathiine 2,2-dioxide?
The molecular formula of 3,7-Dimethyl-5,6,7,8-tetrahydro-1,2lambda6-benzoxathiine 2,2-dioxide is C10H14O3S.
What is the molecular weight of 3,7-Dimethyl-5,6,7,8-tetrahydro-1,2lambda6-benzoxathiine 2,2-dioxide?
The molecular weight of 3,7-Dimethyl-5,6,7,8-tetrahydro-1,2lambda6-benzoxathiine 2,2-dioxide is 214.06636 g/mol.
Where can I buy 3,7-Dimethyl-5,6,7,8-tetrahydro-1,2lambda6-benzoxathiine 2,2-dioxide?
You can request a quote for 3,7-Dimethyl-5,6,7,8-tetrahydro-1,2lambda6-benzoxathiine 2,2-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,7-Dimethyl-5,6,7,8-tetrahydro-1,2lambda6-benzoxathiine 2,2-dioxide?
Yes, CoreyChem provides custom synthesis services for 3,7-Dimethyl-5,6,7,8-tetrahydro-1,2lambda6-benzoxathiine 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.