Methanethiol, N-isopentylamidino-, hydrogen thiosulfate
TL;DR: Methanethiol, N-isopentylamidino-, hydrogen thiosulfate (CAS 5326-42-1) is a chemical compound with molecular formula C7H16N2O3S2 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1-amino-2-sulfosulfanylethylidene)amino]-3-methylbutane
Also Known As: S-((N-Isopentylamidino)methyl) hydrogen thiosulfate, Methanethiol, N-isopentylamidino-, hydrogen thiosulfate, ThiosulfuricacidhydrogenS-[2-imino-2-[ amino]ethyl]ester, ({[N-(3-methylbutyl)carbamimidoyl]methyl}sulfanyl)sulfonic acid, 1-[(1-amino-2-sulfosulfanylethylidene)amino]-3-methylbutane
| Molecular Formula | C7H16N2O3S2 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 240.06024 |
| Heavy Atoms | 14 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 5326-42-1 |
|---|---|
| SMILES | CC(C)CCN=C(CSS(=O)(=O)O)N |
| InChIKey | JSSDFKSULXLETE-UHFFFAOYSA-N |
Product Overview
Methanethiol, N-isopentylamidino-, hydrogen thiosulfate (CAS 5326-42-1), with molecular formula C7H16N2O3S2 and molecular weight 240.06 g/mol. IUPAC: 1-[(1-amino-2-sulfosulfanylethylidene)amino]-3-methylbutane.
Chemical Property Profile of Methanethiol, N-isopentylamidino-, hydrogen thiosulfate
Property Insights of Methanethiol, N-isopentylamidino-, hydrogen thiosulfate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanethiol, N-isopentylamidino-, hydrogen thiosulfate. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanethiol, N-isopentylamidino-, hydrogen thiosulfate. Following Lipinski's Rule of Five, Methanethiol, N-isopentylamidino-, hydrogen thiosulfate 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-isopentylamidino-, hydrogen thiosulfate?
The CAS number of Methanethiol, N-isopentylamidino-, hydrogen thiosulfate is 5326-42-1.
What is the molecular formula of Methanethiol, N-isopentylamidino-, hydrogen thiosulfate?
The molecular formula of Methanethiol, N-isopentylamidino-, hydrogen thiosulfate is C7H16N2O3S2.
What is the molecular weight of Methanethiol, N-isopentylamidino-, hydrogen thiosulfate?
The molecular weight of Methanethiol, N-isopentylamidino-, hydrogen thiosulfate is 240.06 g/mol.
Where can I buy Methanethiol, N-isopentylamidino-, hydrogen thiosulfate?
You can request a quote for Methanethiol, N-isopentylamidino-, 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-isopentylamidino-, hydrogen thiosulfate?
Yes, KEHONG BIO provides custom synthesis services for Methanethiol, N-isopentylamidino-, hydrogen thiosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.