1-(2,5-dimethylbenzyl)-1H-indol-3-yl carbamimidothioate hydroiodide
TL;DR: 1-(2,5-dimethylbenzyl)-1H-indol-3-yl carbamimidothioate hydroiodide (CAS 1052413-09-8) is a chemical compound with molecular formula C18H20IN3S and molecular weight 437.04227 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-[(2,5-dimethylphenyl)methyl]indol-3-yl] carbamimidothioate;hydroiodide
Also Known As: 1-(2,5-dimethylbenzyl)-1H-indol-3-yl carbamimidothioate hydroiodide, F1386-0167, ({1-[(2,5-dimethylphenyl)methyl]-1H-indol-3-yl}sulfanyl)methanimidamide hydroiodide, [1-[(2,5-dimethylphenyl)methyl]indol-3-yl] carbamimidothioate hydroiodide, [1-[(2,5-dimethylphenyl)methyl]indol-3-yl] carbamimidothioate;hydroiodide
Technical Specifications
| Molecular Formula | C18H20IN3S |
| Molecular Weight | 437.04227 g/mol |
| XLogP | 4.91001 |
| Topological Polar Surface Area (TPSA) | 80.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.04227 Da |
| Heavy Atoms | 23 |
| Complexity | 400.0 |
| SMILES | CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)SC(=N)N.I |
| InChIKey | KFADHNDERBTUCG-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2,5-dimethylbenzyl)-1H-indol-3-yl carbamimidothioate hydroiodide
Property Insights of 1-(2,5-dimethylbenzyl)-1H-indol-3-yl carbamimidothioate hydroiodide
The XLogP value of 4.91001 indicates that 1-(2,5-dimethylbenzyl)-1H-indol-3-yl carbamimidothioate hydroiodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,5-dimethylbenzyl)-1H-indol-3-yl carbamimidothioate hydroiodide. Following Lipinski's Rule of Five, 1-(2,5-dimethylbenzyl)-1H-indol-3-yl carbamimidothioate hydroiodide has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(2,5-dimethylbenzyl)-1H-indol-3-yl carbamimidothioate hydroiodide?
The CAS number of 1-(2,5-dimethylbenzyl)-1H-indol-3-yl carbamimidothioate hydroiodide is 1052413-09-8.
What is the molecular formula of 1-(2,5-dimethylbenzyl)-1H-indol-3-yl carbamimidothioate hydroiodide?
The molecular formula of 1-(2,5-dimethylbenzyl)-1H-indol-3-yl carbamimidothioate hydroiodide is C18H20IN3S.
What is the molecular weight of 1-(2,5-dimethylbenzyl)-1H-indol-3-yl carbamimidothioate hydroiodide?
The molecular weight of 1-(2,5-dimethylbenzyl)-1H-indol-3-yl carbamimidothioate hydroiodide is 437.04227 g/mol.
Where can I buy 1-(2,5-dimethylbenzyl)-1H-indol-3-yl carbamimidothioate hydroiodide?
You can request a quote for 1-(2,5-dimethylbenzyl)-1H-indol-3-yl carbamimidothioate hydroiodide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2,5-dimethylbenzyl)-1H-indol-3-yl carbamimidothioate hydroiodide?
Yes, CoreyChem provides custom synthesis services for 1-(2,5-dimethylbenzyl)-1H-indol-3-yl carbamimidothioate hydroiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.