1,4-Diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene
TL;DR: 1,4-Diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene (CAS 218601-71-9) is a chemical compound with molecular formula C18H14N4S2 and molecular weight 350.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z,3Z)-2,3-bis[amino(phenylsulfanyl)methylidene]butanedinitrile
Also Known As: u0125, 1,4-Diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene, J1.826.017D, U-0125, 2,3-Bis[amino(phenylthio)methylene]butanedinitrile
| Molecular Formula | C18H14N4S2 |
|---|---|
| Molecular Weight | 350.07 g/mol |
| LogP | 3.95876 |
| Topological Polar Surface Area | 99.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.06598 |
| Heavy Atoms | 24 |
| Complexity | 770.58264 |
Chemical Identifiers
| CAS Number | 218601-71-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)S/C(=C(/C(=C(/SC2=CC=CC=C2)\N)/C#N)\C#N)/N |
Product Overview
1,4-Diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene (CAS 218601-71-9), with molecular formula C18H14N4S2 and molecular weight 350.07 g/mol. IUPAC: (2Z,3Z)-2,3-bis[amino(phenylsulfanyl)methylidene]butanedinitrile.
Chemical Property Profile of 1,4-Diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene
Property Insights of 1,4-Diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene
The XLogP value of 3.95876 indicates that 1,4-Diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene. Following Lipinski's Rule of Five, 1,4-Diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene has 2 hydrogen bond donor(s) and 6 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 1,4-Diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene?
The CAS number of 1,4-Diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene is 218601-71-9.
What is the molecular formula of 1,4-Diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene?
The molecular formula of 1,4-Diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene is C18H14N4S2.
What is the molecular weight of 1,4-Diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene?
The molecular weight of 1,4-Diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene is 350.07 g/mol.
Where can I buy 1,4-Diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene?
You can request a quote for 1,4-Diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.