Mercaptoacetonitrile
TL;DR: Mercaptoacetonitrile (CAS 54524-31-1) is a chemical compound with molecular formula C2H3NS and molecular weight 73.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylacetonitrile
Also Known As: 2-sulfanylacetonitrile, MERCAPTOACETONITRILE, 2-mercaptoacetonitrile, Sulfanylacetonitrile, J1.443.918H
| Molecular Formula | C2H3NS |
|---|---|
| Molecular Weight | 73.00 g/mol |
| LogP | 0.43978 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 72.99862 |
| Heavy Atoms | 4 |
| Complexity | 35.793194 |
Chemical Identifiers
| CAS Number | 54524-31-1 |
|---|---|
| SMILES | C(C#N)S |
Product Overview
Mercaptoacetonitrile (CAS 54524-31-1), with molecular formula C2H3NS and molecular weight 73.00 g/mol. IUPAC: 2-sulfanylacetonitrile.
Chemical Property Profile of Mercaptoacetonitrile
Property Insights of Mercaptoacetonitrile
The XLogP value of 0.43978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mercaptoacetonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, Mercaptoacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mercaptoacetonitrile has 1 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 Mercaptoacetonitrile?
The CAS number of Mercaptoacetonitrile is 54524-31-1.
What is the molecular formula of Mercaptoacetonitrile?
The molecular formula of Mercaptoacetonitrile is C2H3NS.
What is the molecular weight of Mercaptoacetonitrile?
The molecular weight of Mercaptoacetonitrile is 73.00 g/mol.
Where can I buy Mercaptoacetonitrile?
You can request a quote for Mercaptoacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mercaptoacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Mercaptoacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.