N-cyano-N'-(2-mercaptoethyl)-N''-methylguanidine
TL;DR: N-cyano-N'-(2-mercaptoethyl)-N''-methylguanidine (CAS 61085-25-4) is a chemical compound with molecular formula C5H10N4S and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-2-methyl-3-(2-sulfanylethyl)guanidine
Also Known As: EINECS 262-584-5, N-Cyano-N'-(2-mercaptoethyl)-N''-methylguanidine, N-Cyano-N''-methyl-N'-(2-sulfanylethyl)guanidine, 1-cyano-2-methyl-3-(2-sulfanylethyl)guanidine, N"-cyano-N-(2-mercaptoethyl)- N'-methylguanidine
| Molecular Formula | C5H10N4S |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | -0.43772 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.06262 |
| Heavy Atoms | 10 |
| Complexity | 148.21716 |
Chemical Identifiers
| CAS Number | 61085-25-4 |
|---|---|
| SMILES | CN=C(NCCS)NC#N |
Product Overview
N-cyano-N'-(2-mercaptoethyl)-N''-methylguanidine (CAS 61085-25-4), with molecular formula C5H10N4S and molecular weight 158.06 g/mol. IUPAC: 1-cyano-2-methyl-3-(2-sulfanylethyl)guanidine.
Chemical Property Profile of N-cyano-N'-(2-mercaptoethyl)-N''-methylguanidine
Property Insights of N-cyano-N'-(2-mercaptoethyl)-N''-methylguanidine
The XLogP value of -0.43772 indicates that N-cyano-N'-(2-mercaptoethyl)-N''-methylguanidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for N-cyano-N'-(2-mercaptoethyl)-N''-methylguanidine. Following Lipinski's Rule of Five, N-cyano-N'-(2-mercaptoethyl)-N''-methylguanidine has 3 hydrogen bond donor(s) and 3 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 N-cyano-N'-(2-mercaptoethyl)-N''-methylguanidine?
The CAS number of N-cyano-N'-(2-mercaptoethyl)-N''-methylguanidine is 61085-25-4.
What is the molecular formula of N-cyano-N'-(2-mercaptoethyl)-N''-methylguanidine?
The molecular formula of N-cyano-N'-(2-mercaptoethyl)-N''-methylguanidine is C5H10N4S.
What is the molecular weight of N-cyano-N'-(2-mercaptoethyl)-N''-methylguanidine?
The molecular weight of N-cyano-N'-(2-mercaptoethyl)-N''-methylguanidine is 158.06 g/mol.
Where can I buy N-cyano-N'-(2-mercaptoethyl)-N''-methylguanidine?
You can request a quote for N-cyano-N'-(2-mercaptoethyl)-N''-methylguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-cyano-N'-(2-mercaptoethyl)-N''-methylguanidine?
Yes, KEHONG BIO provides custom synthesis services for N-cyano-N'-(2-mercaptoethyl)-N''-methylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.