1,4-Diamino-2,3-dicyano-1,4-bis(methylthio)butadiene
TL;DR: 1,4-Diamino-2,3-dicyano-1,4-bis(methylthio)butadiene (CAS 218602-01-8) is a chemical compound with molecular formula C8H10N4S2 and molecular weight 226.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z,3Z)-2,3-bis[amino(methylsulfanyl)methylidene]butanedinitrile
Also Known As: u0124, U-0124, Bis[amino(methylthio)methylene]butanedinitrile, 1,4-Diamino-2,3-dicyano-1,4-bis(methylthio)butadiene, J1.623.506G
| Molecular Formula | C8H10N4S2 |
|---|---|
| Molecular Weight | 226.03 g/mol |
| LogP | 1.10016 |
| Topological Polar Surface Area | 99.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.03468 |
| Heavy Atoms | 14 |
| Complexity | 320.518 |
Chemical Identifiers
| CAS Number | 218602-01-8 |
|---|---|
| SMILES | CS/C(=C(/C(=C(/SC)\N)/C#N)\C#N)/N |
Product Overview
1,4-Diamino-2,3-dicyano-1,4-bis(methylthio)butadiene (CAS 218602-01-8), with molecular formula C8H10N4S2 and molecular weight 226.03 g/mol. IUPAC: (2Z,3Z)-2,3-bis[amino(methylsulfanyl)methylidene]butanedinitrile.
Chemical Property Profile of 1,4-Diamino-2,3-dicyano-1,4-bis(methylthio)butadiene
Property Insights of 1,4-Diamino-2,3-dicyano-1,4-bis(methylthio)butadiene
The XLogP value of 1.10016 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Diamino-2,3-dicyano-1,4-bis(methylthio)butadiene. 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(methylthio)butadiene. Following Lipinski's Rule of Five, 1,4-Diamino-2,3-dicyano-1,4-bis(methylthio)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(methylthio)butadiene?
The CAS number of 1,4-Diamino-2,3-dicyano-1,4-bis(methylthio)butadiene is 218602-01-8.
What is the molecular formula of 1,4-Diamino-2,3-dicyano-1,4-bis(methylthio)butadiene?
The molecular formula of 1,4-Diamino-2,3-dicyano-1,4-bis(methylthio)butadiene is C8H10N4S2.
What is the molecular weight of 1,4-Diamino-2,3-dicyano-1,4-bis(methylthio)butadiene?
The molecular weight of 1,4-Diamino-2,3-dicyano-1,4-bis(methylthio)butadiene is 226.03 g/mol.
Where can I buy 1,4-Diamino-2,3-dicyano-1,4-bis(methylthio)butadiene?
You can request a quote for 1,4-Diamino-2,3-dicyano-1,4-bis(methylthio)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(methylthio)butadiene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diamino-2,3-dicyano-1,4-bis(methylthio)butadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.