5,9,9-Trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazine-3-thiol
TL;DR: 5,9,9-Trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazine-3-thiol (CAS 1212484-03-1) is a chemical compound with molecular formula C11H15N3S and molecular weight 221.09866 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8,11,11-trimethyl-3,4,6-triazatricyclo[6.2.1.02,7]undeca-2,6-diene-5-thione
Also Known As: AM-760/37392005, 5,9,9-trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazine-3-thiol, (5R,8S)-5,9,9-trimethyl-5,6,7,8-tetrahydro-5,8-methanobenzo[e][1,2,4]triazine-3-thiol, 1,11,11-trimethyl-3,5,6-triazatricyclo[6.2.1.0<2,7>]undeca-2(7),3,5-triene-4-t hiol, 8,11,11-trimethyl-3,4,6-triazatricyclo[6.2.1.0~2,7~]undeca-2,6-diene-5-thione
Technical Specifications
| Molecular Formula | C11H15N3S |
| Molecular Weight | 221.09866 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 221.09866 Da |
| Heavy Atoms | 15 |
| Complexity | 422.0 |
| SMILES | CC1(C2CCC1(C3=NC(=S)NN=C23)C)C |
| InChIKey | FYDIWFZMQQDSND-UHFFFAOYSA-N |
Chemical Property Profile of 5,9,9-Trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazine-3-thiol
Property Insights of 5,9,9-Trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazine-3-thiol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,9,9-Trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazine-3-thiol. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,9,9-Trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazine-3-thiol. Following Lipinski's Rule of Five, 5,9,9-Trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazine-3-thiol has 1 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 5,9,9-Trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazine-3-thiol?
The CAS number of 5,9,9-Trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazine-3-thiol is 1212484-03-1.
What is the molecular formula of 5,9,9-Trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazine-3-thiol?
The molecular formula of 5,9,9-Trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazine-3-thiol is C11H15N3S.
What is the molecular weight of 5,9,9-Trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazine-3-thiol?
The molecular weight of 5,9,9-Trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazine-3-thiol is 221.09866 g/mol.
Where can I buy 5,9,9-Trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazine-3-thiol?
You can request a quote for 5,9,9-Trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazine-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5,9,9-Trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazine-3-thiol?
Yes, CoreyChem provides custom synthesis services for 5,9,9-Trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazine-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.