Benzothiazolium, 3-ethyl-6-methoxy-2,5-dimethyl-, iodide (1:1)
TL;DR: Benzothiazolium, 3-ethyl-6-methoxy-2,5-dimethyl-, iodide (1:1) (CAS 63816-02-4) is a chemical compound with molecular formula C12H16INOS and molecular weight 348.99973 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethyl-6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium iodide
Also Known As: Benzothiazolium, 3-ethyl-6-methoxy-2,5-dimethyl-, iodide, Diaethylamino-cyanphosphinsaeure-aethylester, 3-ethyl-6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium iodide, Benzothiazolium, 3-ethyl-6-methoxy-2,5-dimethyl-, iodide (1:1)
Technical Specifications
| Molecular Formula | C12H16INOS |
| Molecular Weight | 348.99973 g/mol |
| XLogP | -0.16 |
| Topological Polar Surface Area (TPSA) | 41.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.99973 Da |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
| SMILES | CC[N+]1=C(SC2=C1C=C(C(=C2)OC)C)C.[I-] |
| InChIKey | WWJBNDOZRQKDKD-UHFFFAOYSA-M |
Chemical Property Profile of Benzothiazolium, 3-ethyl-6-methoxy-2,5-dimethyl-, iodide (1:1)
Property Insights of Benzothiazolium, 3-ethyl-6-methoxy-2,5-dimethyl-, iodide (1:1)
The XLogP value of -0.16 indicates that Benzothiazolium, 3-ethyl-6-methoxy-2,5-dimethyl-, iodide (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.4 Ų, Benzothiazolium, 3-ethyl-6-methoxy-2,5-dimethyl-, iodide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazolium, 3-ethyl-6-methoxy-2,5-dimethyl-, iodide (1:1) 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 Benzothiazolium, 3-ethyl-6-methoxy-2,5-dimethyl-, iodide (1:1)?
The CAS number of Benzothiazolium, 3-ethyl-6-methoxy-2,5-dimethyl-, iodide (1:1) is 63816-02-4.
What is the molecular formula of Benzothiazolium, 3-ethyl-6-methoxy-2,5-dimethyl-, iodide (1:1)?
The molecular formula of Benzothiazolium, 3-ethyl-6-methoxy-2,5-dimethyl-, iodide (1:1) is C12H16INOS.
What is the molecular weight of Benzothiazolium, 3-ethyl-6-methoxy-2,5-dimethyl-, iodide (1:1)?
The molecular weight of Benzothiazolium, 3-ethyl-6-methoxy-2,5-dimethyl-, iodide (1:1) is 348.99973 g/mol.
Where can I buy Benzothiazolium, 3-ethyl-6-methoxy-2,5-dimethyl-, iodide (1:1)?
You can request a quote for Benzothiazolium, 3-ethyl-6-methoxy-2,5-dimethyl-, iodide (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzothiazolium, 3-ethyl-6-methoxy-2,5-dimethyl-, iodide (1:1)?
Yes, CoreyChem provides custom synthesis services for Benzothiazolium, 3-ethyl-6-methoxy-2,5-dimethyl-, iodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.