Methanethiol, (N-cyclooctylmethyl)amidino-, hydrogen sulfate (ester)
TL;DR: Methanethiol, (N-cyclooctylmethyl)amidino-, hydrogen sulfate (ester) (CAS 5326-76-1) is a chemical compound with molecular formula C11H22N2O3S2 and molecular weight 294.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1-amino-2-sulfosulfanylethylidene)amino]methylcyclooctane
Also Known As: S-((N-Cyclooctylmethylamidino)methyl) hydrogen thiosulfate, Methanethiol, (N-cyclooctylmethyl)amidino-, hydrogen sulfate (ester), ThiosulfuricacidhydrogenS-[2-[ amino]-2-iminoethyl]ester, [(1-amino-2-sulfosulfanylethylidene)amino]methylcyclooctane, s-{(2z)-2-amino-2-[(cyclooctylmethyl)imino]ethyl} hydrogen sulfurothioate
| Molecular Formula | C11H22N2O3S2 |
|---|---|
| Molecular Weight | 294.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.10718 |
| Heavy Atoms | 18 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 5326-76-1 |
|---|---|
| SMILES | C1CCCC(CCC1)CN=C(CSS(=O)(=O)O)N |
| InChIKey | WAZJRDVLNOHWSD-UHFFFAOYSA-N |
Product Overview
Methanethiol, (N-cyclooctylmethyl)amidino-, hydrogen sulfate (ester) (CAS 5326-76-1), with molecular formula C11H22N2O3S2 and molecular weight 294.11 g/mol. IUPAC: [(1-amino-2-sulfosulfanylethylidene)amino]methylcyclooctane.
Chemical Property Profile of Methanethiol, (N-cyclooctylmethyl)amidino-, hydrogen sulfate (ester)
Property Insights of Methanethiol, (N-cyclooctylmethyl)amidino-, hydrogen sulfate (ester)
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanethiol, (N-cyclooctylmethyl)amidino-, hydrogen sulfate (ester). The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanethiol, (N-cyclooctylmethyl)amidino-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Methanethiol, (N-cyclooctylmethyl)amidino-, hydrogen sulfate (ester) has 2 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-cyclooctylmethyl)amidino-, hydrogen sulfate (ester)?
The CAS number of Methanethiol, (N-cyclooctylmethyl)amidino-, hydrogen sulfate (ester) is 5326-76-1.
What is the molecular formula of Methanethiol, (N-cyclooctylmethyl)amidino-, hydrogen sulfate (ester)?
The molecular formula of Methanethiol, (N-cyclooctylmethyl)amidino-, hydrogen sulfate (ester) is C11H22N2O3S2.
What is the molecular weight of Methanethiol, (N-cyclooctylmethyl)amidino-, hydrogen sulfate (ester)?
The molecular weight of Methanethiol, (N-cyclooctylmethyl)amidino-, hydrogen sulfate (ester) is 294.11 g/mol.
Where can I buy Methanethiol, (N-cyclooctylmethyl)amidino-, hydrogen sulfate (ester)?
You can request a quote for Methanethiol, (N-cyclooctylmethyl)amidino-, hydrogen sulfate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanethiol, (N-cyclooctylmethyl)amidino-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Methanethiol, (N-cyclooctylmethyl)amidino-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.