![2-[(4-Fluoro-3-methylanilino)(methylsulfanyl)methylene]malononitrile structure](/static/products/866/866010-36-8.png)
2-[(4-Fluoro-3-methylanilino)(methylsulfanyl)methylene]malononitrile
TL;DR: 2-[(4-Fluoro-3-methylanilino)(methylsulfanyl)methylene]malononitrile (CAS 866010-36-8) is a chemical compound with molecular formula C12H10FN3S and molecular weight 247.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluoro-3-methylanilino)-methylsulfanylmethylidene]propanedinitrile
Also Known As: 2-[(4-fluoro-3-methylanilino)(methylsulfanyl)methylene]malononitrile, 2-{[(4-fluoro-3-methylphenyl)amino](methylsulfanyl)methylidene}propanedinitrile, 2-[(4-fluoro-3-methylanilino)-methylsulfanylmethylidene]propanedinitrile, 2-[(4-fluoro-3-methyl-anilino)-methylsulfanyl-methylene]propanedinitrile
| Molecular Formula | C12H10FN3S |
|---|---|
| Molecular Weight | 247.06 g/mol |
| LogP | 3.16778 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.05795 |
| Heavy Atoms | 17 |
| Complexity | 521.66223 |
Chemical Identifiers
| CAS Number | 866010-36-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=C(C#N)C#N)SC)F |
Product Overview
2-[(4-Fluoro-3-methylanilino)(methylsulfanyl)methylene]malononitrile (CAS 866010-36-8), with molecular formula C12H10FN3S and molecular weight 247.06 g/mol. IUPAC: 2-[(4-fluoro-3-methylanilino)-methylsulfanylmethylidene]propanedinitrile.
Chemical Property Profile of 2-[(4-Fluoro-3-methylanilino)(methylsulfanyl)methylene]malononitrile
Property Insights of 2-[(4-Fluoro-3-methylanilino)(methylsulfanyl)methylene]malononitrile
The XLogP value of 3.16778 indicates that 2-[(4-Fluoro-3-methylanilino)(methylsulfanyl)methylene]malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.61 Ų, 2-[(4-Fluoro-3-methylanilino)(methylsulfanyl)methylene]malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Fluoro-3-methylanilino)(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-Fluoro-3-methylanilino)(methylsulfanyl)methylene]malononitrile?
The CAS number of 2-[(4-Fluoro-3-methylanilino)(methylsulfanyl)methylene]malononitrile is 866010-36-8.
What is the molecular formula of 2-[(4-Fluoro-3-methylanilino)(methylsulfanyl)methylene]malononitrile?
The molecular formula of 2-[(4-Fluoro-3-methylanilino)(methylsulfanyl)methylene]malononitrile is C12H10FN3S.
What is the molecular weight of 2-[(4-Fluoro-3-methylanilino)(methylsulfanyl)methylene]malononitrile?
The molecular weight of 2-[(4-Fluoro-3-methylanilino)(methylsulfanyl)methylene]malononitrile is 247.06 g/mol.
Where can I buy 2-[(4-Fluoro-3-methylanilino)(methylsulfanyl)methylene]malononitrile?
You can request a quote for 2-[(4-Fluoro-3-methylanilino)(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-Fluoro-3-methylanilino)(methylsulfanyl)methylene]malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Fluoro-3-methylanilino)(methylsulfanyl)methylene]malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.