2-(3,3-Bis(methylthio)-1-phenylallylidene)malononitrile
TL;DR: 2-(3,3-Bis(methylthio)-1-phenylallylidene)malononitrile (CAS 64608-21-5) is a chemical compound with molecular formula C14H12N2S2 and molecular weight 272.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,3-bis(methylsulfanyl)-1-phenylprop-2-enylidene]propanedinitrile
Also Known As: starbld0009297, BB_SC-4700, 2-(3,3-bis(methylthio)-1-phenylallylidene)malononitrile, 2-[3,3-bis(methylsulfanyl)-1-phenylprop-2-enylidene]propanedinitrile, [1-Phenyl-3,3-bis(methylthio)-2-propenylidene]malononitrile
| Molecular Formula | C14H12N2S2 |
|---|---|
| Molecular Weight | 272.04 g/mol |
| LogP | 4.05476 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.0442 |
| Heavy Atoms | 18 |
| Complexity | 523.397 |
Chemical Identifiers
| CAS Number | 64608-21-5 |
|---|---|
| SMILES | CSC(=CC(=C(C#N)C#N)C1=CC=CC=C1)SC |
Product Overview
2-(3,3-Bis(methylthio)-1-phenylallylidene)malononitrile (CAS 64608-21-5), with molecular formula C14H12N2S2 and molecular weight 272.04 g/mol. IUPAC: 2-[3,3-bis(methylsulfanyl)-1-phenylprop-2-enylidene]propanedinitrile.
Chemical Property Profile of 2-(3,3-Bis(methylthio)-1-phenylallylidene)malononitrile
Property Insights of 2-(3,3-Bis(methylthio)-1-phenylallylidene)malononitrile
The XLogP value of 4.05476 indicates that 2-(3,3-Bis(methylthio)-1-phenylallylidene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, 2-(3,3-Bis(methylthio)-1-phenylallylidene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,3-Bis(methylthio)-1-phenylallylidene)malononitrile has 0 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-(3,3-Bis(methylthio)-1-phenylallylidene)malononitrile?
The CAS number of 2-(3,3-Bis(methylthio)-1-phenylallylidene)malononitrile is 64608-21-5.
What is the molecular formula of 2-(3,3-Bis(methylthio)-1-phenylallylidene)malononitrile?
The molecular formula of 2-(3,3-Bis(methylthio)-1-phenylallylidene)malononitrile is C14H12N2S2.
What is the molecular weight of 2-(3,3-Bis(methylthio)-1-phenylallylidene)malononitrile?
The molecular weight of 2-(3,3-Bis(methylthio)-1-phenylallylidene)malononitrile is 272.04 g/mol.
Where can I buy 2-(3,3-Bis(methylthio)-1-phenylallylidene)malononitrile?
You can request a quote for 2-(3,3-Bis(methylthio)-1-phenylallylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,3-Bis(methylthio)-1-phenylallylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,3-Bis(methylthio)-1-phenylallylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.