Methanethiol, N-cyclooctylamidino-, hydrogen sulfate (ester)
TL;DR: Methanethiol, N-cyclooctylamidino-, hydrogen sulfate (ester) (CAS 5326-74-9) is a chemical compound with molecular formula C10H20N2O3S2 and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1-amino-2-sulfosulfanylethylidene)amino]cyclooctane
Also Known As: S-((N-Cyclooctylamidino)methyl) hydrogen thiosulfate, Methanethiol, N-cyclooctylamidino-, hydrogen sulfate (ester), [(1-amino-2-sulfosulfanylethylidene)amino]cyclooctane, s-[(2z)-2-amino-2-(cyclooctylimino)ethyl] hydrogen sulfurothioate, {[(N-cyclooctylcarbamimidoyl)methyl]sulfanyl}sulfonic acid
| Molecular Formula | C10H20N2O3S2 |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.09152 |
| Heavy Atoms | 17 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 5326-74-9 |
|---|---|
| SMILES | C1CCCC(CCC1)N=C(CSS(=O)(=O)O)N |
| InChIKey | RRXBGHRARYBGOA-UHFFFAOYSA-N |
Product Overview
Methanethiol, N-cyclooctylamidino-, hydrogen sulfate (ester) (CAS 5326-74-9), with molecular formula C10H20N2O3S2 and molecular weight 280.09 g/mol. IUPAC: [(1-amino-2-sulfosulfanylethylidene)amino]cyclooctane.
Chemical Property Profile of Methanethiol, N-cyclooctylamidino-, hydrogen sulfate (ester)
Property Insights of Methanethiol, N-cyclooctylamidino-, hydrogen sulfate (ester)
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanethiol, N-cyclooctylamidino-, hydrogen sulfate (ester). The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanethiol, N-cyclooctylamidino-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Methanethiol, N-cyclooctylamidino-, 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-cyclooctylamidino-, hydrogen sulfate (ester)?
The CAS number of Methanethiol, N-cyclooctylamidino-, hydrogen sulfate (ester) is 5326-74-9.
What is the molecular formula of Methanethiol, N-cyclooctylamidino-, hydrogen sulfate (ester)?
The molecular formula of Methanethiol, N-cyclooctylamidino-, hydrogen sulfate (ester) is C10H20N2O3S2.
What is the molecular weight of Methanethiol, N-cyclooctylamidino-, hydrogen sulfate (ester)?
The molecular weight of Methanethiol, N-cyclooctylamidino-, hydrogen sulfate (ester) is 280.09 g/mol.
Where can I buy Methanethiol, N-cyclooctylamidino-, hydrogen sulfate (ester)?
You can request a quote for Methanethiol, N-cyclooctylamidino-, 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-cyclooctylamidino-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Methanethiol, N-cyclooctylamidino-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.