2,6-Pyrazinedicarbonitrile, 5-amino-3,4-dihydro-3-thioxo-
TL;DR: 2,6-Pyrazinedicarbonitrile, 5-amino-3,4-dihydro-3-thioxo- (CAS 94053-73-3) is a chemical compound with molecular formula C6H3N5S and molecular weight 177.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-sulfanylidene-1H-pyrazine-3,5-dicarbonitrile
Also Known As: 3-azanylpyrazine-2,6-dicarbonitrile, 2-amino-3,5-dicyano-6-mercaptopyrazine, 2,6-Pyrazinedicarbonitrile, 5-amino-3,4-dihydro-3-thioxo-, 3-Amino-5-mercaptopyrazine-2,6-dicarbonitrile, 3-amino-5-sulfanylpyrazine-2,6-dicarbonitrile
| Molecular Formula | C6H3N5S |
|---|---|
| Molecular Weight | 177.01 g/mol |
| LogP | 0.46475 |
| Topological Polar Surface Area | 102.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.01091 |
| Heavy Atoms | 12 |
| Complexity | 446.47696 |
Chemical Identifiers
| CAS Number | 94053-73-3 |
|---|---|
| SMILES | C(#N)C1=C(NC(=S)C(=N1)C#N)N |
Product Overview
2,6-Pyrazinedicarbonitrile, 5-amino-3,4-dihydro-3-thioxo- (CAS 94053-73-3), with molecular formula C6H3N5S and molecular weight 177.01 g/mol. IUPAC: 2-amino-6-sulfanylidene-1H-pyrazine-3,5-dicarbonitrile.
Chemical Property Profile of 2,6-Pyrazinedicarbonitrile, 5-amino-3,4-dihydro-3-thioxo-
Property Insights of 2,6-Pyrazinedicarbonitrile, 5-amino-3,4-dihydro-3-thioxo-
The XLogP value of 0.46475 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Pyrazinedicarbonitrile, 5-amino-3,4-dihydro-3-thioxo-. The TPSA of 102.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Pyrazinedicarbonitrile, 5-amino-3,4-dihydro-3-thioxo-. Following Lipinski's Rule of Five, 2,6-Pyrazinedicarbonitrile, 5-amino-3,4-dihydro-3-thioxo- has 2 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 2,6-Pyrazinedicarbonitrile, 5-amino-3,4-dihydro-3-thioxo-?
The CAS number of 2,6-Pyrazinedicarbonitrile, 5-amino-3,4-dihydro-3-thioxo- is 94053-73-3.
What is the molecular formula of 2,6-Pyrazinedicarbonitrile, 5-amino-3,4-dihydro-3-thioxo-?
The molecular formula of 2,6-Pyrazinedicarbonitrile, 5-amino-3,4-dihydro-3-thioxo- is C6H3N5S.
What is the molecular weight of 2,6-Pyrazinedicarbonitrile, 5-amino-3,4-dihydro-3-thioxo-?
The molecular weight of 2,6-Pyrazinedicarbonitrile, 5-amino-3,4-dihydro-3-thioxo- is 177.01 g/mol.
Where can I buy 2,6-Pyrazinedicarbonitrile, 5-amino-3,4-dihydro-3-thioxo-?
You can request a quote for 2,6-Pyrazinedicarbonitrile, 5-amino-3,4-dihydro-3-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Pyrazinedicarbonitrile, 5-amino-3,4-dihydro-3-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Pyrazinedicarbonitrile, 5-amino-3,4-dihydro-3-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.