N,N,N-Trimethyl-2,1,3-benzothiadiazol-4-aminium iodide
TL;DR: N,N,N-Trimethyl-2,1,3-benzothiadiazol-4-aminium iodide (CAS 60045-72-9) is a chemical compound with molecular formula C9H12IN3S and molecular weight 320.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,1,3-benzothiadiazol-4-yl(trimethyl)azanium iodide
Also Known As: (2,1,3-Benzothia(S IV)diazol-4-yl)trimethylammonium iodide, N,N,N-Trimethyl-2,1,3-benzothiadiazol-4-aminium iodide, 2,1,3-benzothiadiazol-4-yl(trimethyl)azanium iodide, AMMONIUM, (2,1,3-BENZOTHIA(S IV)DIAZOL-4-YL)TRIMETHYL-, IODIDE, RefChem:1090339
| Molecular Formula | C9H12IN3S |
|---|---|
| Molecular Weight | 320.98 g/mol |
| LogP | -1.11 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.97968 |
| Heavy Atoms | 14 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 60045-72-9 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC=CC2=NSN=C21.[I-] |
| InChIKey | NTIWRRMOCQTVIK-UHFFFAOYSA-M |
Product Overview
N,N,N-Trimethyl-2,1,3-benzothiadiazol-4-aminium iodide (CAS 60045-72-9), with molecular formula C9H12IN3S and molecular weight 320.98 g/mol. IUPAC: 2,1,3-benzothiadiazol-4-yl(trimethyl)azanium iodide.
Chemical Property Profile of N,N,N-Trimethyl-2,1,3-benzothiadiazol-4-aminium iodide
Property Insights of N,N,N-Trimethyl-2,1,3-benzothiadiazol-4-aminium iodide
The XLogP value of -1.11 indicates that N,N,N-Trimethyl-2,1,3-benzothiadiazol-4-aminium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.0 Ų, N,N,N-Trimethyl-2,1,3-benzothiadiazol-4-aminium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,N-Trimethyl-2,1,3-benzothiadiazol-4-aminium iodide has 0 hydrogen bond donor(s) and 4 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 N,N,N-Trimethyl-2,1,3-benzothiadiazol-4-aminium iodide?
The CAS number of N,N,N-Trimethyl-2,1,3-benzothiadiazol-4-aminium iodide is 60045-72-9.
What is the molecular formula of N,N,N-Trimethyl-2,1,3-benzothiadiazol-4-aminium iodide?
The molecular formula of N,N,N-Trimethyl-2,1,3-benzothiadiazol-4-aminium iodide is C9H12IN3S.
What is the molecular weight of N,N,N-Trimethyl-2,1,3-benzothiadiazol-4-aminium iodide?
The molecular weight of N,N,N-Trimethyl-2,1,3-benzothiadiazol-4-aminium iodide is 320.98 g/mol.
Where can I buy N,N,N-Trimethyl-2,1,3-benzothiadiazol-4-aminium iodide?
You can request a quote for N,N,N-Trimethyl-2,1,3-benzothiadiazol-4-aminium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,N-Trimethyl-2,1,3-benzothiadiazol-4-aminium iodide?
Yes, KEHONG BIO provides custom synthesis services for N,N,N-Trimethyl-2,1,3-benzothiadiazol-4-aminium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.