2H-Thiopyranium, 4-(9,10-dihydro-10-oxo-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-, iodide
TL;DR: 2H-Thiopyranium, 4-(9,10-dihydro-10-oxo-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-, iodide (CAS 124939-81-7) is a chemical compound with molecular formula C19H19IOS2 and molecular weight 453.99222 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-methylthian-1-ium-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one iodide
Also Known As: 2H-Thiopyranium, 4-(9,10-dihydro-10-oxo-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-, iodide, 10-(1-methylthian-1-ium-4-ylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one,iodide, 1-methyl-4-(10-oxo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene-4-ylidene)tetrahydrothiopyranium iodide
Technical Specifications
| Molecular Formula | C19H19IOS2 |
| Molecular Weight | 453.99222 g/mol |
| XLogP | 1.3347 |
| Topological Polar Surface Area (TPSA) | 46.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 453.99222 Da |
| Heavy Atoms | 23 |
| Complexity | 474.0 |
| SMILES | C[S+]1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1.[I-] |
| InChIKey | VMWAGUBXEPLNAT-UHFFFAOYSA-M |
Chemical Property Profile of 2H-Thiopyranium, 4-(9,10-dihydro-10-oxo-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-, iodide
Property Insights of 2H-Thiopyranium, 4-(9,10-dihydro-10-oxo-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-, iodide
The XLogP value of 1.3347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Thiopyranium, 4-(9,10-dihydro-10-oxo-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-, iodide. With a topological polar surface area (TPSA) of 46.3 Ų, 2H-Thiopyranium, 4-(9,10-dihydro-10-oxo-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Thiopyranium, 4-(9,10-dihydro-10-oxo-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-, iodide 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 2H-Thiopyranium, 4-(9,10-dihydro-10-oxo-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-, iodide?
The CAS number of 2H-Thiopyranium, 4-(9,10-dihydro-10-oxo-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-, iodide is 124939-81-7.
What is the molecular formula of 2H-Thiopyranium, 4-(9,10-dihydro-10-oxo-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-, iodide?
The molecular formula of 2H-Thiopyranium, 4-(9,10-dihydro-10-oxo-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-, iodide is C19H19IOS2.
What is the molecular weight of 2H-Thiopyranium, 4-(9,10-dihydro-10-oxo-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-, iodide?
The molecular weight of 2H-Thiopyranium, 4-(9,10-dihydro-10-oxo-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-, iodide is 453.99222 g/mol.
Where can I buy 2H-Thiopyranium, 4-(9,10-dihydro-10-oxo-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-, iodide?
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Does CoreyChem offer custom synthesis for 2H-Thiopyranium, 4-(9,10-dihydro-10-oxo-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-, iodide?
Yes, CoreyChem provides custom synthesis services for 2H-Thiopyranium, 4-(9,10-dihydro-10-oxo-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.