![2-[1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile structure](/static/products/6457/64573-35-9.webp)
2-[1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile
TL;DR: 2-[1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile (CAS 64573-35-9) is a chemical compound with molecular formula C14H11ClN2S2 and molecular weight 306.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile
Also Known As: 4-Quinazolinecarboxaldehyde,2-methyl-,oxime, [1-(4-Chlorophenyl)-3,3-bis(methylthio)-2-propenylidene]malononitrile, 2-(1-(4-chlorophenyl)-3,3-bis(methylthio)allylidene)malononitrile, 2-[1-(4-chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile, [1-(4-Chlorophenyl)-3,3-bis(methylthio)-2-propen-1-ylidene]malononitrile
| Molecular Formula | C14H11ClN2S2 |
|---|---|
| Molecular Weight | 306.01 g/mol |
| LogP | 4.70816 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.00522 |
| Heavy Atoms | 19 |
| Complexity | 567.35736 |
Chemical Identifiers
| CAS Number | 64573-35-9 |
|---|---|
| SMILES | CSC(=CC(=C(C#N)C#N)C1=CC=C(C=C1)Cl)SC |
Product Overview
2-[1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile (CAS 64573-35-9), with molecular formula C14H11ClN2S2 and molecular weight 306.01 g/mol. IUPAC: 2-[1-(4-chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile.
Chemical Property Profile of 2-[1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile
Property Insights of 2-[1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile
The XLogP value of 4.70816 indicates that 2-[1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile 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-[1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile 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-[1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile?
The CAS number of 2-[1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile is 64573-35-9.
What is the molecular formula of 2-[1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile?
The molecular formula of 2-[1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile is C14H11ClN2S2.
What is the molecular weight of 2-[1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile?
The molecular weight of 2-[1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile is 306.01 g/mol.
Where can I buy 2-[1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile?
You can request a quote for 2-[1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.