1-(3-Methylbenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide
TL;DR: 1-(3-Methylbenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide (CAS 1049785-01-4) is a chemical compound with molecular formula C17H18IN3S and molecular weight 423.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(3-methylphenyl)methyl]indol-3-yl] carbamimidothioate;hydroiodide
Also Known As: 1-(3-Methylbenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide, [1-[(3-methylphenyl)methyl]indol-3-yl] carbamimidothioate;hydroiodide, ({1-[(3-methylphenyl)methyl]-1H-indol-3-yl}sulfanyl)methanimidamide hydroiodide, 1-(3-methylbenzyl)-1H-indol-3-yl carbamimidothioate hydroiodide, 2-[1-(m-tolylmethyl)indol-3-yl]isothiourea;hydroiodide
| Molecular Formula | C17H18IN3S |
|---|---|
| Molecular Weight | 423.03 g/mol |
| LogP | 4.60159 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.0266 |
| Heavy Atoms | 22 |
| Complexity | 810.5242 |
Chemical Identifiers
| CAS Number | 1049785-01-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)SC(=N)N.I |
Product Overview
1-(3-Methylbenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide (CAS 1049785-01-4), with molecular formula C17H18IN3S and molecular weight 423.03 g/mol. IUPAC: [1-[(3-methylphenyl)methyl]indol-3-yl] carbamimidothioate;hydroiodide.
Chemical Property Profile of 1-(3-Methylbenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide
Property Insights of 1-(3-Methylbenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide
The XLogP value of 4.60159 indicates that 1-(3-Methylbenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, 1-(3-Methylbenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methylbenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide has 2 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 1-(3-Methylbenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide?
The CAS number of 1-(3-Methylbenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide is 1049785-01-4.
What is the molecular formula of 1-(3-Methylbenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide?
The molecular formula of 1-(3-Methylbenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide is C17H18IN3S.
What is the molecular weight of 1-(3-Methylbenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide?
The molecular weight of 1-(3-Methylbenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide is 423.03 g/mol.
Where can I buy 1-(3-Methylbenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide?
You can request a quote for 1-(3-Methylbenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methylbenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methylbenzyl)-1H-indol-3-yl imidothiocarbamate hydroiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.