2-(1-Amino-2-((4-methoxyphenyl)sulfanyl)ethylidene)malononitrile
TL;DR: 2-(1-Amino-2-((4-methoxyphenyl)sulfanyl)ethylidene)malononitrile (CAS 343375-45-1) is a chemical compound with molecular formula C12H11N3OS and molecular weight 245.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-amino-2-(4-methoxyphenyl)sulfanylethylidene]propanedinitrile
Also Known As: 2-(1-amino-2-((4-methoxyphenyl)sulfanyl)ethylidene)malononitrile, 7C-035, 2-[1-amino-2-(4-methoxyphenyl)sulfanylethylidene]propanedinitrile, 2-{1-amino-2-[(4-methoxyphenyl)sulfanyl]ethylidene}propanedinitrile, 2-[1-amino-2-(4-methoxyphenyl)sulfanyl-ethylidene]propanedinitrile
| Molecular Formula | C12H11N3OS |
|---|---|
| Molecular Weight | 245.06 g/mol |
| LogP | 2.04726 |
| Topological Polar Surface Area | 82.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.06229 |
| Heavy Atoms | 17 |
| Complexity | 477.9674 |
Chemical Identifiers
| CAS Number | 343375-45-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)SCC(=C(C#N)C#N)N |
Product Overview
2-(1-Amino-2-((4-methoxyphenyl)sulfanyl)ethylidene)malononitrile (CAS 343375-45-1), with molecular formula C12H11N3OS and molecular weight 245.06 g/mol. IUPAC: 2-[1-amino-2-(4-methoxyphenyl)sulfanylethylidene]propanedinitrile.
Chemical Property Profile of 2-(1-Amino-2-((4-methoxyphenyl)sulfanyl)ethylidene)malononitrile
Property Insights of 2-(1-Amino-2-((4-methoxyphenyl)sulfanyl)ethylidene)malononitrile
The XLogP value of 2.04726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Amino-2-((4-methoxyphenyl)sulfanyl)ethylidene)malononitrile. The TPSA of 82.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Amino-2-((4-methoxyphenyl)sulfanyl)ethylidene)malononitrile. Following Lipinski's Rule of Five, 2-(1-Amino-2-((4-methoxyphenyl)sulfanyl)ethylidene)malononitrile has 1 hydrogen bond donor(s) and 5 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-Amino-2-((4-methoxyphenyl)sulfanyl)ethylidene)malononitrile?
The CAS number of 2-(1-Amino-2-((4-methoxyphenyl)sulfanyl)ethylidene)malononitrile is 343375-45-1.
What is the molecular formula of 2-(1-Amino-2-((4-methoxyphenyl)sulfanyl)ethylidene)malononitrile?
The molecular formula of 2-(1-Amino-2-((4-methoxyphenyl)sulfanyl)ethylidene)malononitrile is C12H11N3OS.
What is the molecular weight of 2-(1-Amino-2-((4-methoxyphenyl)sulfanyl)ethylidene)malononitrile?
The molecular weight of 2-(1-Amino-2-((4-methoxyphenyl)sulfanyl)ethylidene)malononitrile is 245.06 g/mol.
Where can I buy 2-(1-Amino-2-((4-methoxyphenyl)sulfanyl)ethylidene)malononitrile?
You can request a quote for 2-(1-Amino-2-((4-methoxyphenyl)sulfanyl)ethylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Amino-2-((4-methoxyphenyl)sulfanyl)ethylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Amino-2-((4-methoxyphenyl)sulfanyl)ethylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.