![2-{[5-(Methylsulfanyl)selenophen-2-yl]methylene}malononitrile structure](/static/products/957/957486-80-5.png)
2-{[5-(Methylsulfanyl)selenophen-2-yl]methylene}malononitrile
TL;DR: 2-{[5-(Methylsulfanyl)selenophen-2-yl]methylene}malononitrile (CAS 957486-80-5) is a chemical compound with molecular formula C9H6N2SSe and molecular weight 253.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methylsulfanylselenophen-2-yl)methylidene]propanedinitrile
Also Known As: 2-{[5-(methylsulfanyl)selenophen-2-yl]methylene}malononitrile, AI-942/25034637, 2-[(5-methylsulfanylselenophen-2-yl)methylidene]propanedinitrile, [(5-methylthioselenophen-2-yl)methylene]methane-1,1-dicarbonitrile
| Molecular Formula | C9H6N2SSe |
|---|---|
| Molecular Weight | 253.94 g/mol |
| LogP | 1.89606 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.9417 |
| Heavy Atoms | 13 |
| Complexity | 389.98456 |
Chemical Identifiers
| CAS Number | 957486-80-5 |
|---|---|
| SMILES | CSC1=CC=C([Se]1)C=C(C#N)C#N |
Product Overview
2-{[5-(Methylsulfanyl)selenophen-2-yl]methylene}malononitrile (CAS 957486-80-5), with molecular formula C9H6N2SSe and molecular weight 253.94 g/mol. IUPAC: 2-[(5-methylsulfanylselenophen-2-yl)methylidene]propanedinitrile.
Chemical Property Profile of 2-{[5-(Methylsulfanyl)selenophen-2-yl]methylene}malononitrile
Property Insights of 2-{[5-(Methylsulfanyl)selenophen-2-yl]methylene}malononitrile
The XLogP value of 1.89606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[5-(Methylsulfanyl)selenophen-2-yl]methylene}malononitrile. With a topological polar surface area (TPSA) of 47.58 Ų, 2-{[5-(Methylsulfanyl)selenophen-2-yl]methylene}malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[5-(Methylsulfanyl)selenophen-2-yl]methylene}malononitrile 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-{[5-(Methylsulfanyl)selenophen-2-yl]methylene}malononitrile?
The CAS number of 2-{[5-(Methylsulfanyl)selenophen-2-yl]methylene}malononitrile is 957486-80-5.
What is the molecular formula of 2-{[5-(Methylsulfanyl)selenophen-2-yl]methylene}malononitrile?
The molecular formula of 2-{[5-(Methylsulfanyl)selenophen-2-yl]methylene}malononitrile is C9H6N2SSe.
What is the molecular weight of 2-{[5-(Methylsulfanyl)selenophen-2-yl]methylene}malononitrile?
The molecular weight of 2-{[5-(Methylsulfanyl)selenophen-2-yl]methylene}malononitrile is 253.94 g/mol.
Where can I buy 2-{[5-(Methylsulfanyl)selenophen-2-yl]methylene}malononitrile?
You can request a quote for 2-{[5-(Methylsulfanyl)selenophen-2-yl]methylene}malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-(Methylsulfanyl)selenophen-2-yl]methylene}malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(Methylsulfanyl)selenophen-2-yl]methylene}malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.