methyl N-cyano-4-(4-nitrophenyl)tetrahydro-1(2H)-pyrazinecarbimidothioate
TL;DR: methyl N-cyano-4-(4-nitrophenyl)tetrahydro-1(2H)-pyrazinecarbimidothioate (CAS 339021-28-2) is a chemical compound with molecular formula C13H15N5O2S and molecular weight 305.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-cyano-4-(4-nitrophenyl)piperazine-1-carboximidothioate
Also Known As: methyl N-cyano-4-(4-nitrophenyl)tetrahydro-1(2H)-pyrazinecarbimidothioate, methyl N-cyano-4-(4-nitrophenyl)piperazine-1-carboximidothioate, (Z)-cyano[(methylsulfanyl)[4-(4-nitrophenyl)piperazin-1-yl]methylidene]amine, Methyl N-cyano-4-(4-nitrophenyl)-1-piperazinecarboximidothioate, [methylsulfanyl-[4-(4-nitrophenyl)piperazin-1-yl]methylidene]cyanamide
| Molecular Formula | C13H15N5O2S |
|---|---|
| Molecular Weight | 305.09 g/mol |
| LogP | 1.91688 |
| Topological Polar Surface Area | 85.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.09464 |
| Heavy Atoms | 21 |
| Complexity | 573.21954 |
Chemical Identifiers
| CAS Number | 339021-28-2 |
|---|---|
| SMILES | CSC(=NC#N)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
methyl N-cyano-4-(4-nitrophenyl)tetrahydro-1(2H)-pyrazinecarbimidothioate (CAS 339021-28-2), with molecular formula C13H15N5O2S and molecular weight 305.09 g/mol. IUPAC: methyl N-cyano-4-(4-nitrophenyl)piperazine-1-carboximidothioate.
Chemical Property Profile of methyl N-cyano-4-(4-nitrophenyl)tetrahydro-1(2H)-pyrazinecarbimidothioate
Property Insights of methyl N-cyano-4-(4-nitrophenyl)tetrahydro-1(2H)-pyrazinecarbimidothioate
The XLogP value of 1.91688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-cyano-4-(4-nitrophenyl)tetrahydro-1(2H)-pyrazinecarbimidothioate. The TPSA of 85.77 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-cyano-4-(4-nitrophenyl)tetrahydro-1(2H)-pyrazinecarbimidothioate. Following Lipinski's Rule of Five, methyl N-cyano-4-(4-nitrophenyl)tetrahydro-1(2H)-pyrazinecarbimidothioate has 0 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 methyl N-cyano-4-(4-nitrophenyl)tetrahydro-1(2H)-pyrazinecarbimidothioate?
The CAS number of methyl N-cyano-4-(4-nitrophenyl)tetrahydro-1(2H)-pyrazinecarbimidothioate is 339021-28-2.
What is the molecular formula of methyl N-cyano-4-(4-nitrophenyl)tetrahydro-1(2H)-pyrazinecarbimidothioate?
The molecular formula of methyl N-cyano-4-(4-nitrophenyl)tetrahydro-1(2H)-pyrazinecarbimidothioate is C13H15N5O2S.
What is the molecular weight of methyl N-cyano-4-(4-nitrophenyl)tetrahydro-1(2H)-pyrazinecarbimidothioate?
The molecular weight of methyl N-cyano-4-(4-nitrophenyl)tetrahydro-1(2H)-pyrazinecarbimidothioate is 305.09 g/mol.
Where can I buy methyl N-cyano-4-(4-nitrophenyl)tetrahydro-1(2H)-pyrazinecarbimidothioate?
You can request a quote for methyl N-cyano-4-(4-nitrophenyl)tetrahydro-1(2H)-pyrazinecarbimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-cyano-4-(4-nitrophenyl)tetrahydro-1(2H)-pyrazinecarbimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-cyano-4-(4-nitrophenyl)tetrahydro-1(2H)-pyrazinecarbimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.