Malononitrile, (p-(p-chlorobenzylthio)benzylidene)-
TL;DR: Malononitrile, (p-(p-chlorobenzylthio)benzylidene)- (CAS 101756-26-7) is a chemical compound with molecular formula C17H11ClN2S and molecular weight 310.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[(4-chlorophenyl)methylsulfanyl]phenyl]methylidene]propanedinitrile
Also Known As: 4-(p-Chlorobenzylthio)benzylidenemalononitrile, MALONONITRILE, (p-(p-CHLOROBENZYLTHIO)BENZYLIDENE)-, p-(p-Chlorobenzylthio)benzylidenemalononitrile, 2-(4-((4-Chlorobenzyl)thio)benzylidene)malononitrile, [(4-{[(4-Chlorophenyl)methyl]sulfanyl}phenyl)methylidene]propanedinitrile
| Molecular Formula | C17H11ClN2S |
|---|---|
| Molecular Weight | 310.03 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.03314 |
| Heavy Atoms | 21 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 101756-26-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=CC=C(C=C2)C=C(C#N)C#N)Cl |
| InChIKey | FAFMTCHNAHQNJC-UHFFFAOYSA-N |
Product Overview
Malononitrile, (p-(p-chlorobenzylthio)benzylidene)- (CAS 101756-26-7), with molecular formula C17H11ClN2S and molecular weight 310.03 g/mol. IUPAC: 2-[[4-[(4-chlorophenyl)methylsulfanyl]phenyl]methylidene]propanedinitrile.
Chemical Property Profile of Malononitrile, (p-(p-chlorobenzylthio)benzylidene)-
Property Insights of Malononitrile, (p-(p-chlorobenzylthio)benzylidene)-
The XLogP value of 4.6 indicates that Malononitrile, (p-(p-chlorobenzylthio)benzylidene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Malononitrile, (p-(p-chlorobenzylthio)benzylidene)-. Following Lipinski's Rule of Five, Malononitrile, (p-(p-chlorobenzylthio)benzylidene)- has 0 hydrogen bond donor(s) and 3 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 Malononitrile, (p-(p-chlorobenzylthio)benzylidene)-?
The CAS number of Malononitrile, (p-(p-chlorobenzylthio)benzylidene)- is 101756-26-7.
What is the molecular formula of Malononitrile, (p-(p-chlorobenzylthio)benzylidene)-?
The molecular formula of Malononitrile, (p-(p-chlorobenzylthio)benzylidene)- is C17H11ClN2S.
What is the molecular weight of Malononitrile, (p-(p-chlorobenzylthio)benzylidene)-?
The molecular weight of Malononitrile, (p-(p-chlorobenzylthio)benzylidene)- is 310.03 g/mol.
Where can I buy Malononitrile, (p-(p-chlorobenzylthio)benzylidene)-?
You can request a quote for Malononitrile, (p-(p-chlorobenzylthio)benzylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malononitrile, (p-(p-chlorobenzylthio)benzylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Malononitrile, (p-(p-chlorobenzylthio)benzylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.