2-(3-Chloroanilino)-3,4-dimethyl-1,3-thiazol-3-ium iodide
TL;DR: 2-(3-Chloroanilino)-3,4-dimethyl-1,3-thiazol-3-ium iodide (CAS 849060-65-7) is a chemical compound with molecular formula C11H12ClIN2S and molecular weight 365.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-3,4-dimethyl-1,3-thiazol-3-ium-2-amine iodide
Also Known As: 2-(3-chloroanilino)-3,4-dimethyl-1,3-thiazol-3-ium iodide, Thiazolium, 2-[(3-chlorophenyl)amino]-3,4-dimethyl-, iodide (1:1), N-(3-chlorophenyl)-3,4-dimethyl-1,3-thiazol-2-amine Iodide, 2-[(3-chlorophenyl)amino]-3,4-dimethyl-1,3-thiazol-3-ium iodide, N-(3-chlorophenyl)-3,4-dimethyl-1,3-thiazol-3-ium-2-amine iodide
| Molecular Formula | C11H12ClIN2S |
|---|---|
| Molecular Weight | 365.95 g/mol |
| LogP | 0.28202 |
| Topological Polar Surface Area | 15.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.94543 |
| Heavy Atoms | 16 |
| Complexity | 484.58685 |
Chemical Identifiers
| CAS Number | 849060-65-7 |
|---|---|
| SMILES | CC1=CSC(=[N+]1C)NC2=CC(=CC=C2)Cl.[I-] |
Product Overview
2-(3-Chloroanilino)-3,4-dimethyl-1,3-thiazol-3-ium iodide (CAS 849060-65-7), with molecular formula C11H12ClIN2S and molecular weight 365.95 g/mol. IUPAC: N-(3-chlorophenyl)-3,4-dimethyl-1,3-thiazol-3-ium-2-amine iodide.
Chemical Property Profile of 2-(3-Chloroanilino)-3,4-dimethyl-1,3-thiazol-3-ium iodide
Property Insights of 2-(3-Chloroanilino)-3,4-dimethyl-1,3-thiazol-3-ium iodide
The XLogP value of 0.28202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Chloroanilino)-3,4-dimethyl-1,3-thiazol-3-ium iodide. With a topological polar surface area (TPSA) of 15.91 Ų, 2-(3-Chloroanilino)-3,4-dimethyl-1,3-thiazol-3-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Chloroanilino)-3,4-dimethyl-1,3-thiazol-3-ium iodide has 1 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 2-(3-Chloroanilino)-3,4-dimethyl-1,3-thiazol-3-ium iodide?
The CAS number of 2-(3-Chloroanilino)-3,4-dimethyl-1,3-thiazol-3-ium iodide is 849060-65-7.
What is the molecular formula of 2-(3-Chloroanilino)-3,4-dimethyl-1,3-thiazol-3-ium iodide?
The molecular formula of 2-(3-Chloroanilino)-3,4-dimethyl-1,3-thiazol-3-ium iodide is C11H12ClIN2S.
What is the molecular weight of 2-(3-Chloroanilino)-3,4-dimethyl-1,3-thiazol-3-ium iodide?
The molecular weight of 2-(3-Chloroanilino)-3,4-dimethyl-1,3-thiazol-3-ium iodide is 365.95 g/mol.
Where can I buy 2-(3-Chloroanilino)-3,4-dimethyl-1,3-thiazol-3-ium iodide?
You can request a quote for 2-(3-Chloroanilino)-3,4-dimethyl-1,3-thiazol-3-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Chloroanilino)-3,4-dimethyl-1,3-thiazol-3-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chloroanilino)-3,4-dimethyl-1,3-thiazol-3-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.