4-Mercaptobutyramidine
TL;DR: 4-Mercaptobutyramidine (CAS 124985-62-2) is a chemical compound with molecular formula C(CC(=N)N)CS and molecular weight 118.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-sulfanylbutanimidamide
Also Known As: 4-Mercaptobutyramidine, 4-sulfanylbutanimidamide, 4-MBA, 4-Mercaptobutanamidine, Butanimidamide,4-mercapto-
| Molecular Formula | C(CC(=N)N)CS |
|---|---|
| Molecular Weight | 118.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.05647 |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 124985-62-2 |
|---|---|
| SMILES | C(CC(=N)N)CS |
| InChIKey | XHSSRBLTUVPKQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Mercaptobutyramidine (CAS 124985-62-2), with molecular formula C(CC(=N)N)CS and molecular weight 118.06 g/mol. IUPAC: 4-sulfanylbutanimidamide.
Chemical Property Profile of 4-Mercaptobutyramidine
Property Insights of 4-Mercaptobutyramidine
The XLogP value of -0.2 indicates that 4-Mercaptobutyramidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.9 Ų, 4-Mercaptobutyramidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Mercaptobutyramidine 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 4-Mercaptobutyramidine?
The CAS number of 4-Mercaptobutyramidine is 124985-62-2.
What is the molecular formula of 4-Mercaptobutyramidine?
The molecular formula of 4-Mercaptobutyramidine is C(CC(=N)N)CS.
What is the molecular weight of 4-Mercaptobutyramidine?
The molecular weight of 4-Mercaptobutyramidine is 118.06 g/mol.
Where can I buy 4-Mercaptobutyramidine?
You can request a quote for 4-Mercaptobutyramidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Mercaptobutyramidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Mercaptobutyramidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.