Guanidine, (3-mercaptopropyl)-
TL;DR: Guanidine, (3-mercaptopropyl)- (CAS 2458-59-5) is a chemical compound with molecular formula C4H11N3S and molecular weight 133.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-sulfanylpropyl)guanidine
Also Known As: (3-Mercaptopropyl)guanidine, Guanidine, (3-mercaptopropyl)-, mercaptopropyl-guanidine, 2-(3-sulfanylpropyl)guanidine, N-(3-sulfanylpropyl)guanidine
| Molecular Formula | C4H11N3S |
|---|---|
| Molecular Weight | 133.07 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 133.06737 |
| Heavy Atoms | 8 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 2458-59-5 |
|---|---|
| SMILES | C(CN=C(N)N)CS |
| InChIKey | ZDCHJYOJRXOAAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Guanidine, (3-mercaptopropyl)- (CAS 2458-59-5), with molecular formula C4H11N3S and molecular weight 133.07 g/mol. IUPAC: 2-(3-sulfanylpropyl)guanidine.
Chemical Property Profile of Guanidine, (3-mercaptopropyl)-
Property Insights of Guanidine, (3-mercaptopropyl)-
The XLogP value of -0.7 indicates that Guanidine, (3-mercaptopropyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanidine, (3-mercaptopropyl)-. Following Lipinski's Rule of Five, Guanidine, (3-mercaptopropyl)- has 3 hydrogen bond donor(s) and 2 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 Guanidine, (3-mercaptopropyl)-?
The CAS number of Guanidine, (3-mercaptopropyl)- is 2458-59-5.
What is the molecular formula of Guanidine, (3-mercaptopropyl)-?
The molecular formula of Guanidine, (3-mercaptopropyl)- is C4H11N3S.
What is the molecular weight of Guanidine, (3-mercaptopropyl)-?
The molecular weight of Guanidine, (3-mercaptopropyl)- is 133.07 g/mol.
Where can I buy Guanidine, (3-mercaptopropyl)-?
You can request a quote for Guanidine, (3-mercaptopropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guanidine, (3-mercaptopropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, (3-mercaptopropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.