Methanethiol, N-(2-(3-indolyl)ethyl)amidino-, hydrogen thiosulfate
TL;DR: Methanethiol, N-(2-(3-indolyl)ethyl)amidino-, hydrogen thiosulfate (CAS 13338-54-0) is a chemical compound with molecular formula C12H15N3O3S2 and molecular weight 313.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethyl]-1H-indole
Also Known As: S-((N-(2-(3-Indolyl)ethyl)amidino)methyl) hydrogen thiosulfate, Methanethiol, N-(2-(3-indolyl)ethyl)amidino-, hydrogen thiosulfate, 3-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethyl]-1H-indole, Thiosulfuric acid hydrogen S-[2-imino-2-[[2-(1H-indol-3-yl)ethyl]amino]ethyl] ester, s-[(2z)-2-amino-2-{[2-(1h-indol-3-yl)ethyl]imino}ethyl] hydrogen sulfurothioate
| Molecular Formula | C12H15N3O3S2 |
|---|---|
| Molecular Weight | 313.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.05548 |
| Heavy Atoms | 20 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 13338-54-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCN=C(CSS(=O)(=O)O)N |
| InChIKey | HSJUJKKYLDNMMW-UHFFFAOYSA-N |
Product Overview
Methanethiol, N-(2-(3-indolyl)ethyl)amidino-, hydrogen thiosulfate (CAS 13338-54-0), with molecular formula C12H15N3O3S2 and molecular weight 313.06 g/mol. IUPAC: 3-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethyl]-1H-indole.
Chemical Property Profile of Methanethiol, N-(2-(3-indolyl)ethyl)amidino-, hydrogen thiosulfate
Property Insights of Methanethiol, N-(2-(3-indolyl)ethyl)amidino-, hydrogen thiosulfate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanethiol, N-(2-(3-indolyl)ethyl)amidino-, hydrogen thiosulfate. The TPSA of 142.0 Ų indicates high polarity, suggesting Methanethiol, N-(2-(3-indolyl)ethyl)amidino-, hydrogen thiosulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methanethiol, N-(2-(3-indolyl)ethyl)amidino-, hydrogen thiosulfate has 3 hydrogen bond donor(s) and 5 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 Methanethiol, N-(2-(3-indolyl)ethyl)amidino-, hydrogen thiosulfate?
The CAS number of Methanethiol, N-(2-(3-indolyl)ethyl)amidino-, hydrogen thiosulfate is 13338-54-0.
What is the molecular formula of Methanethiol, N-(2-(3-indolyl)ethyl)amidino-, hydrogen thiosulfate?
The molecular formula of Methanethiol, N-(2-(3-indolyl)ethyl)amidino-, hydrogen thiosulfate is C12H15N3O3S2.
What is the molecular weight of Methanethiol, N-(2-(3-indolyl)ethyl)amidino-, hydrogen thiosulfate?
The molecular weight of Methanethiol, N-(2-(3-indolyl)ethyl)amidino-, hydrogen thiosulfate is 313.06 g/mol.
Where can I buy Methanethiol, N-(2-(3-indolyl)ethyl)amidino-, hydrogen thiosulfate?
You can request a quote for Methanethiol, N-(2-(3-indolyl)ethyl)amidino-, hydrogen thiosulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanethiol, N-(2-(3-indolyl)ethyl)amidino-, hydrogen thiosulfate?
Yes, KEHONG BIO provides custom synthesis services for Methanethiol, N-(2-(3-indolyl)ethyl)amidino-, hydrogen thiosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.