Di(2-dicyanomethylenecyclohexyl) sulfide
TL;DR: Di(2-dicyanomethylenecyclohexyl) sulfide (CAS 59650-29-2) is a chemical compound with molecular formula C18H18N4S and molecular weight 322.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-(dicyanomethylidene)cyclohexyl]sulfanylcyclohexylidene]propanedinitrile
Also Known As: di(2-dicyanomethylenecyclohexyl) sulfide, 2,2'-(thiobis(cyclohexan-2-yl-1-ylidene))dimalononitrile, 2-[2-[2-(dicyanomethylidene)cyclohexyl]sulfanylcyclohexylidene]propanedinitrile
| Molecular Formula | C18H18N4S |
|---|---|
| Molecular Weight | 322.13 g/mol |
| LogP | 4.29232 |
| Topological Polar Surface Area | 95.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.1252 |
| Heavy Atoms | 23 |
| Complexity | 598.49414 |
Chemical Identifiers
| CAS Number | 59650-29-2 |
|---|---|
| SMILES | C1CCC(=C(C#N)C#N)C(C1)SC2CCCCC2=C(C#N)C#N |
Product Overview
Di(2-dicyanomethylenecyclohexyl) sulfide (CAS 59650-29-2), with molecular formula C18H18N4S and molecular weight 322.13 g/mol. IUPAC: 2-[2-[2-(dicyanomethylidene)cyclohexyl]sulfanylcyclohexylidene]propanedinitrile.
Chemical Property Profile of Di(2-dicyanomethylenecyclohexyl) sulfide
Property Insights of Di(2-dicyanomethylenecyclohexyl) sulfide
The XLogP value of 4.29232 indicates that Di(2-dicyanomethylenecyclohexyl) sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Di(2-dicyanomethylenecyclohexyl) sulfide. Following Lipinski's Rule of Five, Di(2-dicyanomethylenecyclohexyl) sulfide has 0 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 Di(2-dicyanomethylenecyclohexyl) sulfide?
The CAS number of Di(2-dicyanomethylenecyclohexyl) sulfide is 59650-29-2.
What is the molecular formula of Di(2-dicyanomethylenecyclohexyl) sulfide?
The molecular formula of Di(2-dicyanomethylenecyclohexyl) sulfide is C18H18N4S.
What is the molecular weight of Di(2-dicyanomethylenecyclohexyl) sulfide?
The molecular weight of Di(2-dicyanomethylenecyclohexyl) sulfide is 322.13 g/mol.
Where can I buy Di(2-dicyanomethylenecyclohexyl) sulfide?
You can request a quote for Di(2-dicyanomethylenecyclohexyl) sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di(2-dicyanomethylenecyclohexyl) sulfide?
Yes, KEHONG BIO provides custom synthesis services for Di(2-dicyanomethylenecyclohexyl) sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.