![3-methyl-5,7-dihydrospiro[[1,2,4]triazolo[5,1-b][1,3]thiazine-6,3'-oxetan]-3-ium iodide structure](/static/products/110/1104732-05-9.png)
3-methyl-5,7-dihydrospiro[[1,2,4]triazolo[5,1-b][1,3]thiazine-6,3'-oxetan]-3-ium iodide
TL;DR: 3-methyl-5,7-dihydrospiro[[1,2,4]triazolo[5,1-b][1,3]thiazine-6,3'-oxetan]-3-ium iodide (CAS 1104732-05-9) is a chemical compound with molecular formula C8H12IN3OS and molecular weight 324.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylspiro[5,7-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-3-ium-6,3'-oxetane] iodide
Also Known As: 3-methyl-5,7-dihydrospiro[[1,2,4]triazolo[5,1-b][1,3]thiazine-6,3'-oxetan]-3-ium iodide, 3-methylspiro[5,7-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-3-ium-6,3'-oxetane] iodide
| Molecular Formula | C8H12IN3OS |
|---|---|
| Molecular Weight | 324.97 g/mol |
| LogP | -3.1661 |
| Topological Polar Surface Area | 56.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 324.97458 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 1104732-05-9 |
|---|---|
| SMILES | C[N+]1=C2N(CC3(COC3)CS2)N=C1.[I-] |
| InChIKey | XZTPQVGYUGROIQ-UHFFFAOYSA-M |
Product Overview
3-methyl-5,7-dihydrospiro[[1,2,4]triazolo[5,1-b][1,3]thiazine-6,3'-oxetan]-3-ium iodide (CAS 1104732-05-9), with molecular formula C8H12IN3OS and molecular weight 324.97 g/mol. IUPAC: 3-methylspiro[5,7-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-3-ium-6,3'-oxetane] iodide.
Chemical Property Profile of 3-methyl-5,7-dihydrospiro[[1,2,4]triazolo[5,1-b][1,3]thiazine-6,3'-oxetan]-3-ium iodide
Property Insights of 3-methyl-5,7-dihydrospiro[[1,2,4]triazolo[5,1-b][1,3]thiazine-6,3'-oxetan]-3-ium iodide
The XLogP value of -3.1661 indicates that 3-methyl-5,7-dihydrospiro[[1,2,4]triazolo[5,1-b][1,3]thiazine-6,3'-oxetan]-3-ium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.2 Ų, 3-methyl-5,7-dihydrospiro[[1,2,4]triazolo[5,1-b][1,3]thiazine-6,3'-oxetan]-3-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-5,7-dihydrospiro[[1,2,4]triazolo[5,1-b][1,3]thiazine-6,3'-oxetan]-3-ium iodide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-methyl-5,7-dihydrospiro[[1,2,4]triazolo[5,1-b][1,3]thiazine-6,3'-oxetan]-3-ium iodide?
The CAS number of 3-methyl-5,7-dihydrospiro[[1,2,4]triazolo[5,1-b][1,3]thiazine-6,3'-oxetan]-3-ium iodide is 1104732-05-9.
What is the molecular formula of 3-methyl-5,7-dihydrospiro[[1,2,4]triazolo[5,1-b][1,3]thiazine-6,3'-oxetan]-3-ium iodide?
The molecular formula of 3-methyl-5,7-dihydrospiro[[1,2,4]triazolo[5,1-b][1,3]thiazine-6,3'-oxetan]-3-ium iodide is C8H12IN3OS.
What is the molecular weight of 3-methyl-5,7-dihydrospiro[[1,2,4]triazolo[5,1-b][1,3]thiazine-6,3'-oxetan]-3-ium iodide?
The molecular weight of 3-methyl-5,7-dihydrospiro[[1,2,4]triazolo[5,1-b][1,3]thiazine-6,3'-oxetan]-3-ium iodide is 324.97 g/mol.
Where can I buy 3-methyl-5,7-dihydrospiro[[1,2,4]triazolo[5,1-b][1,3]thiazine-6,3'-oxetan]-3-ium iodide?
You can request a quote for 3-methyl-5,7-dihydrospiro[[1,2,4]triazolo[5,1-b][1,3]thiazine-6,3'-oxetan]-3-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-5,7-dihydrospiro[[1,2,4]triazolo[5,1-b][1,3]thiazine-6,3'-oxetan]-3-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-5,7-dihydrospiro[[1,2,4]triazolo[5,1-b][1,3]thiazine-6,3'-oxetan]-3-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.