Methanethiol, N-(3-hydroxypropyl)amidino-, hydrogen thiosulfate
TL;DR: Methanethiol, N-(3-hydroxypropyl)amidino-, hydrogen thiosulfate (CAS 53270-24-9) is a chemical compound with molecular formula C5H12N2O4S2 and molecular weight 228.02 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-hydroxypropane
Also Known As: S-((N-3-Hydroxypropylamidino)methyl) hydrogen thiosulfate, Methanethiol, N-(3-hydroxypropyl)amidino-, hydrogen thiosulfate, s-{(2z)-2-amino-2-[(3-hydroxypropyl)imino]ethyl} hydrogen sulfurothioate, ThiosulfuricacidhydrogenS-[2-[ amino]-2-iminoethyl]ester, 1-[(1-amino-2-sulfosulfanylethylidene)amino]-3-hydroxypropane
| Molecular Formula | C5H12N2O4S2 |
|---|---|
| Molecular Weight | 228.02 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 228.02385 |
| Heavy Atoms | 13 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 53270-24-9 |
|---|---|
| SMILES | C(CN=C(CSS(=O)(=O)O)N)CO |
| InChIKey | BKQCNUPZIBYHSN-UHFFFAOYSA-N |
Product Overview
Methanethiol, N-(3-hydroxypropyl)amidino-, hydrogen thiosulfate (CAS 53270-24-9), with molecular formula C5H12N2O4S2 and molecular weight 228.02 g/mol. IUPAC: 1-[(1-amino-2-sulfosulfanylethylidene)amino]-3-hydroxypropane.
Chemical Property Profile of Methanethiol, N-(3-hydroxypropyl)amidino-, hydrogen thiosulfate
Property Insights of Methanethiol, N-(3-hydroxypropyl)amidino-, hydrogen thiosulfate
The XLogP value of -1.7 indicates that Methanethiol, N-(3-hydroxypropyl)amidino-, hydrogen thiosulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting Methanethiol, N-(3-hydroxypropyl)amidino-, hydrogen thiosulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methanethiol, N-(3-hydroxypropyl)amidino-, hydrogen thiosulfate has 3 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-(3-hydroxypropyl)amidino-, hydrogen thiosulfate?
The CAS number of Methanethiol, N-(3-hydroxypropyl)amidino-, hydrogen thiosulfate is 53270-24-9.
What is the molecular formula of Methanethiol, N-(3-hydroxypropyl)amidino-, hydrogen thiosulfate?
The molecular formula of Methanethiol, N-(3-hydroxypropyl)amidino-, hydrogen thiosulfate is C5H12N2O4S2.
What is the molecular weight of Methanethiol, N-(3-hydroxypropyl)amidino-, hydrogen thiosulfate?
The molecular weight of Methanethiol, N-(3-hydroxypropyl)amidino-, hydrogen thiosulfate is 228.02 g/mol.
Where can I buy Methanethiol, N-(3-hydroxypropyl)amidino-, hydrogen thiosulfate?
You can request a quote for Methanethiol, N-(3-hydroxypropyl)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-(3-hydroxypropyl)amidino-, hydrogen thiosulfate?
Yes, KEHONG BIO provides custom synthesis services for Methanethiol, N-(3-hydroxypropyl)amidino-, hydrogen thiosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.