Benzothiazolium, 3-ethyl-2-methyl-5-phenyl-, iodide (1:1)
TL;DR: Benzothiazolium, 3-ethyl-2-methyl-5-phenyl-, iodide (1:1) (CAS 71130-66-0) is a chemical compound with molecular formula C16H16INS and molecular weight 381.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-methyl-5-phenyl-1,3-benzothiazol-3-ium iodide
Also Known As: 3-Ethyl-2-methyl-5-phenylbenzothiazolium iodide, Benzothiazolium, 3-ethyl-2-methyl-5-phenyl-, iodide, 3-ethyl-2-methyl-5-phenyl-1,3-benzothiazol-3-ium iodide, Benzothiazolium, 3-ethyl-2-methyl-5-phenyl-, iodide (1:1), RefChem:118649
| Molecular Formula | C16H16INS |
|---|---|
| Molecular Weight | 381.00 g/mol |
| LogP | 1.19 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.00482 |
| Heavy Atoms | 19 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 71130-66-0 |
|---|---|
| SMILES | CC[N+]1=C(SC2=C1C=C(C=C2)C3=CC=CC=C3)C.[I-] |
| InChIKey | DPOLRXKICZQABZ-UHFFFAOYSA-M |
Product Overview
Benzothiazolium, 3-ethyl-2-methyl-5-phenyl-, iodide (1:1) (CAS 71130-66-0), with molecular formula C16H16INS and molecular weight 381.00 g/mol. IUPAC: 3-ethyl-2-methyl-5-phenyl-1,3-benzothiazol-3-ium iodide.
Chemical Property Profile of Benzothiazolium, 3-ethyl-2-methyl-5-phenyl-, iodide (1:1)
Property Insights of Benzothiazolium, 3-ethyl-2-methyl-5-phenyl-, iodide (1:1)
The XLogP value of 1.19 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzothiazolium, 3-ethyl-2-methyl-5-phenyl-, iodide (1:1). With a topological polar surface area (TPSA) of 32.1 Ų, Benzothiazolium, 3-ethyl-2-methyl-5-phenyl-, iodide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazolium, 3-ethyl-2-methyl-5-phenyl-, 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-methyl-5-phenyl-, iodide (1:1)?
The CAS number of Benzothiazolium, 3-ethyl-2-methyl-5-phenyl-, iodide (1:1) is 71130-66-0.
What is the molecular formula of Benzothiazolium, 3-ethyl-2-methyl-5-phenyl-, iodide (1:1)?
The molecular formula of Benzothiazolium, 3-ethyl-2-methyl-5-phenyl-, iodide (1:1) is C16H16INS.
What is the molecular weight of Benzothiazolium, 3-ethyl-2-methyl-5-phenyl-, iodide (1:1)?
The molecular weight of Benzothiazolium, 3-ethyl-2-methyl-5-phenyl-, iodide (1:1) is 381.00 g/mol.
Where can I buy Benzothiazolium, 3-ethyl-2-methyl-5-phenyl-, iodide (1:1)?
You can request a quote for Benzothiazolium, 3-ethyl-2-methyl-5-phenyl-, 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-5-phenyl-, iodide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazolium, 3-ethyl-2-methyl-5-phenyl-, iodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.