Benzothiazolium, 3-ethyl-2-methyl-, iodide (1:1)
TL;DR: Benzothiazolium, 3-ethyl-2-methyl-, iodide (1:1) (CAS 3119-93-5) is a chemical compound with molecular formula C10H12INS and molecular weight 304.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-methyl-1,3-benzothiazol-3-ium iodide
Also Known As: 3-Ethyl-2-methylbenzothiazolium iodide, 3-ethyl-2-methylbenzo[d]thiazol-3-ium iodide, 2-Methylbenzothiazole ethiodide, DL-4-BROMOPHENYLGLYCINE, EINECS 221-494-6
| Molecular Formula | C10H12INS |
|---|---|
| Molecular Weight | 304.97 g/mol |
| LogP | -0.47888 |
| Topological Polar Surface Area | 3.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 304.9735 |
| Heavy Atoms | 13 |
| Complexity | 408.21698 |
Chemical Identifiers
| CAS Number | 3119-93-5 |
|---|---|
| SMILES | CC[N+]1=C(SC2=CC=CC=C21)C.[I-] |
Product Overview
Benzothiazolium, 3-ethyl-2-methyl-, iodide (1:1) (CAS 3119-93-5), with molecular formula C10H12INS and molecular weight 304.97 g/mol. IUPAC: 3-ethyl-2-methyl-1,3-benzothiazol-3-ium iodide.
Chemical Property Profile of Benzothiazolium, 3-ethyl-2-methyl-, iodide (1:1)
Property Insights of Benzothiazolium, 3-ethyl-2-methyl-, iodide (1:1)
The XLogP value of -0.47888 indicates that Benzothiazolium, 3-ethyl-2-methyl-, 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 3.88 Ų, Benzothiazolium, 3-ethyl-2-methyl-, iodide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazolium, 3-ethyl-2-methyl-, iodide (1:1) has 0 hydrogen bond donor(s) and 1 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-methyl-, iodide (1:1)?
The CAS number of Benzothiazolium, 3-ethyl-2-methyl-, iodide (1:1) is 3119-93-5.
What is the molecular formula of Benzothiazolium, 3-ethyl-2-methyl-, iodide (1:1)?
The molecular formula of Benzothiazolium, 3-ethyl-2-methyl-, iodide (1:1) is C10H12INS.
What is the molecular weight of Benzothiazolium, 3-ethyl-2-methyl-, iodide (1:1)?
The molecular weight of Benzothiazolium, 3-ethyl-2-methyl-, iodide (1:1) is 304.97 g/mol.
Where can I buy Benzothiazolium, 3-ethyl-2-methyl-, iodide (1:1)?
You can request a quote for Benzothiazolium, 3-ethyl-2-methyl-, 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-methyl-, iodide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazolium, 3-ethyl-2-methyl-, iodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.