1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide
TL;DR: 1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide (CAS 116197-00-3) is a chemical compound with molecular formula C21H23IS2 and molecular weight 466.0286 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-11-(1-methylthian-1-ium-4-ylidene)-6H-benzo[c][1]benzothiepine iodide
Also Known As: 1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide, 2H-Thiopyranium, tetrahydro-4-(6,11-dihydro-2-methyldibenzo(b,e)thiepin-1-ylidene)-1-methyl-,iodide, 2-methyl-11-(1-methylthian-1-ium-4-ylidene)-6H-benzo[c][1]benzothiepine iodide
Technical Specifications
| Molecular Formula | C21H23IS2 |
| Molecular Weight | 466.0286 g/mol |
| XLogP | 2.44852 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 466.0286 Da |
| Heavy Atoms | 24 |
| Complexity | 445.0 |
| SMILES | CC1=CC2=C(C=C1)SCC3=CC=CC=C3C2=C4CC[S+](CC4)C.[I-] |
| InChIKey | QSBCEKAOZFSECQ-UHFFFAOYSA-M |
Chemical Property Profile of 1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide
Property Insights of 1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide
The XLogP value of 2.44852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide 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
What is the CAS number of 1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide?
The CAS number of 1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide is 116197-00-3.
What is the molecular formula of 1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide?
The molecular formula of 1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide is C21H23IS2.
What is the molecular weight of 1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide?
The molecular weight of 1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide is 466.0286 g/mol.
Where can I buy 1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide?
You can request a quote for 1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.