![2-[(Cyanomethyl)sulfinyl]acetonitrile structure](/static/products/1751/175136-86-4.webp)
2-[(Cyanomethyl)sulfinyl]acetonitrile
TL;DR: 2-[(Cyanomethyl)sulfinyl]acetonitrile (CAS 175136-86-4) is a chemical compound with molecular formula C4H4N2OS and molecular weight 128.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyanomethylsulfinyl)acetonitrile
Also Known As: Sulphinyldiacetonitrile, 2,2'-Sulfinyldiacetonitrile, 2-(cyanomethylsulfinyl)acetonitrile, 2-[(CYANOMETHYL)SULFINYL]ACETONITRILE, Bis(cyanomethyl) sulfoxide
| Molecular Formula | C4H4N2OS |
|---|---|
| Molecular Weight | 128.00 g/mol |
| LogP | -0.21774 |
| Topological Polar Surface Area | 64.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 128.00444 |
| Heavy Atoms | 8 |
| Complexity | 145.85757 |
Chemical Identifiers
| CAS Number | 175136-86-4 |
|---|---|
| SMILES | C(C#N)S(=O)CC#N |
Product Overview
2-[(Cyanomethyl)sulfinyl]acetonitrile (CAS 175136-86-4), with molecular formula C4H4N2OS and molecular weight 128.00 g/mol. IUPAC: 2-(cyanomethylsulfinyl)acetonitrile.
Chemical Property Profile of 2-[(Cyanomethyl)sulfinyl]acetonitrile
Property Insights of 2-[(Cyanomethyl)sulfinyl]acetonitrile
The XLogP value of -0.21774 indicates that 2-[(Cyanomethyl)sulfinyl]acetonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Cyanomethyl)sulfinyl]acetonitrile. Following Lipinski's Rule of Five, 2-[(Cyanomethyl)sulfinyl]acetonitrile has 0 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 2-[(Cyanomethyl)sulfinyl]acetonitrile?
The CAS number of 2-[(Cyanomethyl)sulfinyl]acetonitrile is 175136-86-4.
What is the molecular formula of 2-[(Cyanomethyl)sulfinyl]acetonitrile?
The molecular formula of 2-[(Cyanomethyl)sulfinyl]acetonitrile is C4H4N2OS.
What is the molecular weight of 2-[(Cyanomethyl)sulfinyl]acetonitrile?
The molecular weight of 2-[(Cyanomethyl)sulfinyl]acetonitrile is 128.00 g/mol.
Where can I buy 2-[(Cyanomethyl)sulfinyl]acetonitrile?
You can request a quote for 2-[(Cyanomethyl)sulfinyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Cyanomethyl)sulfinyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Cyanomethyl)sulfinyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.