1-(2-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide
TL;DR: 1-(2-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide (CAS 1049785-15-0) is a chemical compound with molecular formula C16H15ClIN3S and molecular weight 442.972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-[(2-chlorophenyl)methyl]indol-3-yl] carbamimidothioate;hydroiodide
Also Known As: 1-(2-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide, L-3742, ({1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)methanimidamide hydroiodide, F1386-0174, [1-[(2-chlorophenyl)methyl]indol-3-yl] carbamimidothioate;hydroiodide
Technical Specifications
| Molecular Formula | C16H15ClIN3S |
| Molecular Weight | 442.972 g/mol |
| XLogP | 4.94657 |
| Topological Polar Surface Area (TPSA) | 80.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.972 Da |
| Heavy Atoms | 22 |
| Complexity | 379.0 |
| SMILES | C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)SC(=N)N)Cl.I |
| InChIKey | BETGGNFTXHDQAK-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide
Property Insights of 1-(2-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide
The XLogP value of 4.94657 indicates that 1-(2-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate 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-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide. Following Lipinski's Rule of Five, 1-(2-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate 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-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide?
The CAS number of 1-(2-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide is 1049785-15-0.
What is the molecular formula of 1-(2-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide?
The molecular formula of 1-(2-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide is C16H15ClIN3S.
What is the molecular weight of 1-(2-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide?
The molecular weight of 1-(2-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide is 442.972 g/mol.
Where can I buy 1-(2-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide?
You can request a quote for 1-(2-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide?
Yes, CoreyChem provides custom synthesis services for 1-(2-Chlorobenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.