![2-[1-(Sulfanylmethyl)cyclopropyl]acetonitrile structure](/static/products/866/866923-64-0.png)
2-[1-(Sulfanylmethyl)cyclopropyl]acetonitrile
TL;DR: 2-[1-(Sulfanylmethyl)cyclopropyl]acetonitrile (CAS 866923-64-0) is a chemical compound with molecular formula C6H9NS and molecular weight 127.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(sulfanylmethyl)cyclopropyl]acetonitrile
Also Known As: Montelukast Impurity 50, 2-[1-(sulfanylmethyl)cyclopropyl]acetonitrile, 2-(1-(Mercaptomethyl)cyclopropyl)acetonitrile, 1-(mercaptomethyl)cyclopropaneacetonitrile, 1-(Mercaptomethyl)-cyclopropylacetonitrile
| Molecular Formula | C6H9NS |
|---|---|
| Molecular Weight | 127.05 g/mol |
| LogP | 1.61008 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 127.04557 |
| Heavy Atoms | 8 |
| Complexity | 120.98045 |
Chemical Identifiers
| CAS Number | 866923-64-0 |
|---|---|
| SMILES | C1CC1(CC#N)CS |
Product Overview
2-[1-(Sulfanylmethyl)cyclopropyl]acetonitrile (CAS 866923-64-0), with molecular formula C6H9NS and molecular weight 127.05 g/mol. IUPAC: 2-[1-(sulfanylmethyl)cyclopropyl]acetonitrile.
Chemical Property Profile of 2-[1-(Sulfanylmethyl)cyclopropyl]acetonitrile
Property Insights of 2-[1-(Sulfanylmethyl)cyclopropyl]acetonitrile
The XLogP value of 1.61008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-(Sulfanylmethyl)cyclopropyl]acetonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 2-[1-(Sulfanylmethyl)cyclopropyl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[1-(Sulfanylmethyl)cyclopropyl]acetonitrile 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 2-[1-(Sulfanylmethyl)cyclopropyl]acetonitrile?
The CAS number of 2-[1-(Sulfanylmethyl)cyclopropyl]acetonitrile is 866923-64-0.
What is the molecular formula of 2-[1-(Sulfanylmethyl)cyclopropyl]acetonitrile?
The molecular formula of 2-[1-(Sulfanylmethyl)cyclopropyl]acetonitrile is C6H9NS.
What is the molecular weight of 2-[1-(Sulfanylmethyl)cyclopropyl]acetonitrile?
The molecular weight of 2-[1-(Sulfanylmethyl)cyclopropyl]acetonitrile is 127.05 g/mol.
Where can I buy 2-[1-(Sulfanylmethyl)cyclopropyl]acetonitrile?
You can request a quote for 2-[1-(Sulfanylmethyl)cyclopropyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-(Sulfanylmethyl)cyclopropyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(Sulfanylmethyl)cyclopropyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.