Methanethiol, N-(2-phenylthioethyl)amidino-, hydrogen thiosulfate
TL;DR: Methanethiol, N-(2-phenylthioethyl)amidino-, hydrogen thiosulfate (CAS 40283-97-4) is a chemical compound with molecular formula C10H14N2O3S3 and molecular weight 306.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylsulfanylbenzene
Also Known As: Methanethiol, N-(2-phenylthioethyl)amidino-, hydrogen thiosulfate, S-((N-(2-Phenylthioethyl)amidino)methyl) hydrogen thiosulfate, 2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylsulfanylbenzene, s-[(2z)-2-amino-2-{[2-(phenylsulfanyl)ethyl]imino}ethyl] hydrogen sulfurothioate, Thiosulfuric acid (H2S2O3), S-(2-imino-2-((2-(phenylthio)ethyl)amino)ethyl) ester
| Molecular Formula | C10H14N2O3S3 |
|---|---|
| Molecular Weight | 306.02 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 306.01666 |
| Heavy Atoms | 18 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 40283-97-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCCN=C(CSS(=O)(=O)O)N |
| InChIKey | VOLFUPQSGZPFLV-UHFFFAOYSA-N |
Product Overview
Methanethiol, N-(2-phenylthioethyl)amidino-, hydrogen thiosulfate (CAS 40283-97-4), with molecular formula C10H14N2O3S3 and molecular weight 306.02 g/mol. IUPAC: 2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylsulfanylbenzene.
Chemical Property Profile of Methanethiol, N-(2-phenylthioethyl)amidino-, hydrogen thiosulfate
Property Insights of Methanethiol, N-(2-phenylthioethyl)amidino-, hydrogen thiosulfate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanethiol, N-(2-phenylthioethyl)amidino-, hydrogen thiosulfate. The TPSA of 152.0 Ų indicates high polarity, suggesting Methanethiol, N-(2-phenylthioethyl)amidino-, hydrogen thiosulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methanethiol, N-(2-phenylthioethyl)amidino-, hydrogen thiosulfate 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-phenylthioethyl)amidino-, hydrogen thiosulfate?
The CAS number of Methanethiol, N-(2-phenylthioethyl)amidino-, hydrogen thiosulfate is 40283-97-4.
What is the molecular formula of Methanethiol, N-(2-phenylthioethyl)amidino-, hydrogen thiosulfate?
The molecular formula of Methanethiol, N-(2-phenylthioethyl)amidino-, hydrogen thiosulfate is C10H14N2O3S3.
What is the molecular weight of Methanethiol, N-(2-phenylthioethyl)amidino-, hydrogen thiosulfate?
The molecular weight of Methanethiol, N-(2-phenylthioethyl)amidino-, hydrogen thiosulfate is 306.02 g/mol.
Where can I buy Methanethiol, N-(2-phenylthioethyl)amidino-, hydrogen thiosulfate?
You can request a quote for Methanethiol, N-(2-phenylthioethyl)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-(2-phenylthioethyl)amidino-, hydrogen thiosulfate?
Yes, KEHONG BIO provides custom synthesis services for Methanethiol, N-(2-phenylthioethyl)amidino-, hydrogen thiosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.