Benzothiazolium, 3-ethyl-2,5-dimethyl-, iodide (1:1)
TL;DR: Benzothiazolium, 3-ethyl-2,5-dimethyl-, iodide (1:1) (CAS 50774-65-7) is a chemical compound with molecular formula C11H14INS and molecular weight 318.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium iodide
Also Known As: 2,5-Dimethylbenzothiazole, ethiodide, 3-Ethyl-2,5-dimethylbenzothiazolium iodide, Benzothiazolium, 3-ethyl-2,5-dimethyl-, iodide, Benzothiazolium, 3-ethyl-2,5-dimethyl-, iodide (1:1), 3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium iodide
| Molecular Formula | C11H14INS |
|---|---|
| Molecular Weight | 318.99 g/mol |
| LogP | -0.17046 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.98917 |
| Heavy Atoms | 14 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 50774-65-7 |
|---|---|
| SMILES | CC[N+]1=C(SC2=C1C=C(C=C2)C)C.[I-] |
| InChIKey | SDRAKXLNMLPVHD-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzothiazolium, 3-ethyl-2,5-dimethyl-, iodide (1:1) (CAS 50774-65-7), with molecular formula C11H14INS and molecular weight 318.99 g/mol. IUPAC: 3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium iodide.
Chemical Property Profile of Benzothiazolium, 3-ethyl-2,5-dimethyl-, iodide (1:1)
Property Insights of Benzothiazolium, 3-ethyl-2,5-dimethyl-, iodide (1:1)
The XLogP value of -0.17046 indicates that Benzothiazolium, 3-ethyl-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 32.1 Ų, Benzothiazolium, 3-ethyl-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-2,5-dimethyl-, iodide (1:1) 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
Frequently Asked Questions
What is the CAS number of Benzothiazolium, 3-ethyl-2,5-dimethyl-, iodide (1:1)?
The CAS number of Benzothiazolium, 3-ethyl-2,5-dimethyl-, iodide (1:1) is 50774-65-7.
What is the molecular formula of Benzothiazolium, 3-ethyl-2,5-dimethyl-, iodide (1:1)?
The molecular formula of Benzothiazolium, 3-ethyl-2,5-dimethyl-, iodide (1:1) is C11H14INS.
What is the molecular weight of Benzothiazolium, 3-ethyl-2,5-dimethyl-, iodide (1:1)?
The molecular weight of Benzothiazolium, 3-ethyl-2,5-dimethyl-, iodide (1:1) is 318.99 g/mol.
Where can I buy Benzothiazolium, 3-ethyl-2,5-dimethyl-, iodide (1:1)?
You can request a quote for Benzothiazolium, 3-ethyl-2,5-dimethyl-, iodide (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazolium, 3-ethyl-2,5-dimethyl-, iodide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazolium, 3-ethyl-2,5-dimethyl-, iodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.