Benzothiazolium, 3-propyl-, iodide
TL;DR: Benzothiazolium, 3-propyl-, iodide (CAS 64227-74-3) 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-propyl-1,3-benzothiazol-3-ium iodide
Also Known As: 3-propylbenzothiazole Iodide, Benzothiazolium, 3-propyl-, iodide, 3-propyl-1,3-benzothiazol-3-ium iodide
| Molecular Formula | C10H12INS |
|---|---|
| Molecular Weight | 304.97 g/mol |
| LogP | -0.3972 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.9735 |
| Heavy Atoms | 13 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 64227-74-3 |
|---|---|
| SMILES | CCC[N+]1=CSC2=CC=CC=C21.[I-] |
| InChIKey | FEIKBUBQXUIYRF-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzothiazolium, 3-propyl-, iodide (CAS 64227-74-3), with molecular formula C10H12INS and molecular weight 304.97 g/mol. IUPAC: 3-propyl-1,3-benzothiazol-3-ium iodide.
Chemical Property Profile of Benzothiazolium, 3-propyl-, iodide
Property Insights of Benzothiazolium, 3-propyl-, iodide
The XLogP value of -0.3972 indicates that Benzothiazolium, 3-propyl-, iodide 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-propyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazolium, 3-propyl-, iodide 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-propyl-, iodide?
The CAS number of Benzothiazolium, 3-propyl-, iodide is 64227-74-3.
What is the molecular formula of Benzothiazolium, 3-propyl-, iodide?
The molecular formula of Benzothiazolium, 3-propyl-, iodide is C10H12INS.
What is the molecular weight of Benzothiazolium, 3-propyl-, iodide?
The molecular weight of Benzothiazolium, 3-propyl-, iodide is 304.97 g/mol.
Where can I buy Benzothiazolium, 3-propyl-, iodide?
You can request a quote for Benzothiazolium, 3-propyl-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazolium, 3-propyl-, iodide?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazolium, 3-propyl-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.