Methanethiol, N-(3,4-dimethoxyphenethyl)amidino-, hydrogen thiosulfate
TL;DR: Methanethiol, N-(3,4-dimethoxyphenethyl)amidino-, hydrogen thiosulfate (CAS 5328-36-9) is a chemical compound with molecular formula C12H18N2O5S2 and molecular weight 334.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethyl]-1,2-dimethoxybenzene
Also Known As: S-((N-(3,4-Dimethoxyphenethyl)amidino)methyl) hydrogen thiosulfate, Methanethiol, N-(3,4-dimethoxyphenethyl)amidino-, hydrogen thiosulfate, s-[(2z)-2-amino-2-{[2-(3,4-dimethoxyphenyl)ethyl]imino}ethyl] hydrogen sulfurothioate, Thiosulfuric acid hydrogen S-[2-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-iminoethyl] ester, ThiosulfuricacidhydrogenS-[2-[[2- ethyl]amino]-2-iminoethyl]ester
| Molecular Formula | C12H18N2O5S2 |
|---|---|
| Molecular Weight | 334.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 334.0657 |
| Heavy Atoms | 21 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 5328-36-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN=C(CSS(=O)(=O)O)N)OC |
| InChIKey | IFKQSCSWOTVYMY-UHFFFAOYSA-N |
Product Overview
Methanethiol, N-(3,4-dimethoxyphenethyl)amidino-, hydrogen thiosulfate (CAS 5328-36-9), with molecular formula C12H18N2O5S2 and molecular weight 334.07 g/mol. IUPAC: 4-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethyl]-1,2-dimethoxybenzene.
Chemical Property Profile of Methanethiol, N-(3,4-dimethoxyphenethyl)amidino-, hydrogen thiosulfate
Property Insights of Methanethiol, N-(3,4-dimethoxyphenethyl)amidino-, hydrogen thiosulfate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanethiol, N-(3,4-dimethoxyphenethyl)amidino-, hydrogen thiosulfate. The TPSA of 145.0 Ų indicates high polarity, suggesting Methanethiol, N-(3,4-dimethoxyphenethyl)amidino-, hydrogen thiosulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methanethiol, N-(3,4-dimethoxyphenethyl)amidino-, hydrogen thiosulfate has 2 hydrogen bond donor(s) and 7 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-(3,4-dimethoxyphenethyl)amidino-, hydrogen thiosulfate?
The CAS number of Methanethiol, N-(3,4-dimethoxyphenethyl)amidino-, hydrogen thiosulfate is 5328-36-9.
What is the molecular formula of Methanethiol, N-(3,4-dimethoxyphenethyl)amidino-, hydrogen thiosulfate?
The molecular formula of Methanethiol, N-(3,4-dimethoxyphenethyl)amidino-, hydrogen thiosulfate is C12H18N2O5S2.
What is the molecular weight of Methanethiol, N-(3,4-dimethoxyphenethyl)amidino-, hydrogen thiosulfate?
The molecular weight of Methanethiol, N-(3,4-dimethoxyphenethyl)amidino-, hydrogen thiosulfate is 334.07 g/mol.
Where can I buy Methanethiol, N-(3,4-dimethoxyphenethyl)amidino-, hydrogen thiosulfate?
You can request a quote for Methanethiol, N-(3,4-dimethoxyphenethyl)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-(3,4-dimethoxyphenethyl)amidino-, hydrogen thiosulfate?
Yes, KEHONG BIO provides custom synthesis services for Methanethiol, N-(3,4-dimethoxyphenethyl)amidino-, hydrogen thiosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.