2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
TL;DR: 2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione (CAS 1005287-24-0) is a chemical compound with molecular formula C12H14N2OS and molecular weight 234.08269 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-11-thione
Also Known As: 2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione, F0918-6267, 9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-11-thione, 2,11-dimethyl-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocine-4(3H)-thione
Technical Specifications
| Molecular Formula | C12H14N2OS |
| Molecular Weight | 234.08269 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 65.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 234.08269 Da |
| Heavy Atoms | 16 |
| Complexity | 322.0 |
| SMILES | CC1C2C3=CC=CC=C3OC1(NC(=S)N2)C |
| InChIKey | KHNYRGKEGQXNQU-UHFFFAOYSA-N |
Chemical Property Profile of 2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Property Insights of 2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione. Following Lipinski's Rule of Five, 2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione?
The CAS number of 2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione is 1005287-24-0.
What is the molecular formula of 2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione?
The molecular formula of 2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione is C12H14N2OS.
What is the molecular weight of 2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione?
The molecular weight of 2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione is 234.08269 g/mol.
Where can I buy 2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione?
You can request a quote for 2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione?
Yes, CoreyChem provides custom synthesis services for 2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.