Methanethiol, N-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester)
TL;DR: Methanethiol, N-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester) (CAS 5328-52-9) is a chemical compound with molecular formula C11H16N2O3S3 and molecular weight 320.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylsulfanylmethylbenzene
Also Known As: S-((N-(2-Benzylthioethyl)amidino)methyl) hydrogen thiosulfate, Methanethiol, N-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester), s-[(2z)-2-amino-2-{[2-(benzylsulfanyl)ethyl]imino}ethyl] hydrogen sulfurothioate, Thiosulfuric acid hydrogen S-[2-imino-2-[[2-[(phenylmethyl)thio]ethyl]amino]ethyl] ester, [({N-[2-(benzylsulfanyl)ethyl]carbamimidoyl}methyl)sulfanyl]sulfonic acid
| Molecular Formula | C11H16N2O3S3 |
|---|---|
| Molecular Weight | 320.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 320.03232 |
| Heavy Atoms | 19 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 5328-52-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCCN=C(CSS(=O)(=O)O)N |
| InChIKey | RVIZCXZRYPJRIC-UHFFFAOYSA-N |
Product Overview
Methanethiol, N-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester) (CAS 5328-52-9), with molecular formula C11H16N2O3S3 and molecular weight 320.03 g/mol. IUPAC: 2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylsulfanylmethylbenzene.
Chemical Property Profile of Methanethiol, N-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester)
Property Insights of Methanethiol, N-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester)
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanethiol, N-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester). The TPSA of 152.0 Ų indicates high polarity, suggesting Methanethiol, N-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methanethiol, N-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester) has 2 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-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester)?
The CAS number of Methanethiol, N-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester) is 5328-52-9.
What is the molecular formula of Methanethiol, N-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester)?
The molecular formula of Methanethiol, N-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester) is C11H16N2O3S3.
What is the molecular weight of Methanethiol, N-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester)?
The molecular weight of Methanethiol, N-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester) is 320.03 g/mol.
Where can I buy Methanethiol, N-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester)?
You can request a quote for Methanethiol, N-(2-benzylthioethyl)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-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Methanethiol, N-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.