![2-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile structure](/static/products/5884/58842-47-0.webp)
2-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
TL;DR: 2-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile (CAS 58842-47-0) is a chemical compound with molecular formula C12H12N4S4 and molecular weight 339.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
Also Known As: 2-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile, 2-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsul, 2-[1-Cyano-2,2-bis(methylsulfanyl)ethen-1-yl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
| Molecular Formula | C12H12N4S4 |
|---|---|
| Molecular Weight | 339.99 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.99448 |
| Heavy Atoms | 20 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 58842-47-0 |
|---|---|
| SMILES | CSC1=C(C(=NC(=N1)C(=C(SC)SC)C#N)SC)C#N |
| InChIKey | GBZPDRQSADYUAV-UHFFFAOYSA-N |
Product Overview
2-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile (CAS 58842-47-0), with molecular formula C12H12N4S4 and molecular weight 339.99 g/mol. IUPAC: 2-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile.
Chemical Property Profile of 2-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
Property Insights of 2-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile. The TPSA of 175.0 Ų indicates high polarity, suggesting 2-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile has 0 hydrogen bond donor(s) and 8 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-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile?
The CAS number of 2-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile is 58842-47-0.
What is the molecular formula of 2-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile?
The molecular formula of 2-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile is C12H12N4S4.
What is the molecular weight of 2-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile?
The molecular weight of 2-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile is 339.99 g/mol.
Where can I buy 2-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile?
You can request a quote for 2-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.