![2-[(4-Fluoroanilino)(methylsulfanyl)methylene]malononitrile structure](/static/products/1837/183740-46-7.webp)
2-[(4-Fluoroanilino)(methylsulfanyl)methylene]malononitrile
TL;DR: 2-[(4-Fluoroanilino)(methylsulfanyl)methylene]malononitrile (CAS 183740-46-7) is a chemical compound with molecular formula C11H8FN3S and molecular weight 233.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluoroanilino)-methylsulfanylmethylidene]propanedinitrile
Also Known As: 2-[(4-fluoroanilino)(methylsulfanyl)methylene]malononitrile, AR-527/43293963, 2-[(4-fluoroanilino)-methylsulfanylmethylidene]propanedinitrile, 2-((4-fluorophenylamino)(methylthio)methylene)malononitrile, 2-(((4-Fluorophenyl)amino)(methylthio)methylene)malononitrile
| Molecular Formula | C11H8FN3S |
|---|---|
| Molecular Weight | 233.04 g/mol |
| LogP | 2.85936 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.0423 |
| Heavy Atoms | 16 |
| Complexity | 463.43652 |
Chemical Identifiers
| CAS Number | 183740-46-7 |
|---|---|
| SMILES | CSC(=C(C#N)C#N)NC1=CC=C(C=C1)F |
Product Overview
2-[(4-Fluoroanilino)(methylsulfanyl)methylene]malononitrile (CAS 183740-46-7), with molecular formula C11H8FN3S and molecular weight 233.04 g/mol. IUPAC: 2-[(4-fluoroanilino)-methylsulfanylmethylidene]propanedinitrile.
Chemical Property Profile of 2-[(4-Fluoroanilino)(methylsulfanyl)methylene]malononitrile
Property Insights of 2-[(4-Fluoroanilino)(methylsulfanyl)methylene]malononitrile
The XLogP value of 2.85936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Fluoroanilino)(methylsulfanyl)methylene]malononitrile. With a topological polar surface area (TPSA) of 59.61 Ų, 2-[(4-Fluoroanilino)(methylsulfanyl)methylene]malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Fluoroanilino)(methylsulfanyl)methylene]malononitrile has 1 hydrogen bond donor(s) and 4 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-[(4-Fluoroanilino)(methylsulfanyl)methylene]malononitrile?
The CAS number of 2-[(4-Fluoroanilino)(methylsulfanyl)methylene]malononitrile is 183740-46-7.
What is the molecular formula of 2-[(4-Fluoroanilino)(methylsulfanyl)methylene]malononitrile?
The molecular formula of 2-[(4-Fluoroanilino)(methylsulfanyl)methylene]malononitrile is C11H8FN3S.
What is the molecular weight of 2-[(4-Fluoroanilino)(methylsulfanyl)methylene]malononitrile?
The molecular weight of 2-[(4-Fluoroanilino)(methylsulfanyl)methylene]malononitrile is 233.04 g/mol.
Where can I buy 2-[(4-Fluoroanilino)(methylsulfanyl)methylene]malononitrile?
You can request a quote for 2-[(4-Fluoroanilino)(methylsulfanyl)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-[(4-Fluoroanilino)(methylsulfanyl)methylene]malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Fluoroanilino)(methylsulfanyl)methylene]malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.