Methanethiol, N-(2-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfate
TL;DR: Methanethiol, N-(2-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfate (CAS 40284-00-2) is a chemical compound with molecular formula C11H16N2O3S3 and molecular weight 320.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylsulfanyl]-4-methylbenzene
Also Known As: (2R,6S)-2,6-dimethylpiperazine, Methanethiol, N-(2-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfate, S-((N-(2-(p-Tolylthio)ethyl)amidino)methyl) hydrogen thiosulfate, Thiosulfuric acid (H2S2O3), S-(2-imino-2-((2-((4-methylphenyl)thio)ethyl)amino)ethyl) ester, 1-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylsulfanyl]-4-methylbenzene
| Molecular Formula | C11H16N2O3S3 |
|---|---|
| Molecular Weight | 320.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 320.03232 |
| Heavy Atoms | 19 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 40284-00-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCCN=C(CSS(=O)(=O)O)N |
| InChIKey | CZGYJVKTYKYBAG-UHFFFAOYSA-N |
Product Overview
Methanethiol, N-(2-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfate (CAS 40284-00-2), with molecular formula C11H16N2O3S3 and molecular weight 320.03 g/mol. IUPAC: 1-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylsulfanyl]-4-methylbenzene.
Chemical Property Profile of Methanethiol, N-(2-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfate
Property Insights of Methanethiol, N-(2-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanethiol, N-(2-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfate. The TPSA of 152.0 Ų indicates high polarity, suggesting Methanethiol, N-(2-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methanethiol, N-(2-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfate has 2 hydrogen bond donor(s) and 6 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-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfate?
The CAS number of Methanethiol, N-(2-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfate is 40284-00-2.
What is the molecular formula of Methanethiol, N-(2-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfate?
The molecular formula of Methanethiol, N-(2-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfate is C11H16N2O3S3.
What is the molecular weight of Methanethiol, N-(2-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfate?
The molecular weight of Methanethiol, N-(2-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfate is 320.03 g/mol.
Where can I buy Methanethiol, N-(2-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfate?
You can request a quote for Methanethiol, N-(2-(p-tolylthio)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-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfate?
Yes, KEHONG BIO provides custom synthesis services for Methanethiol, N-(2-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.