methyl N-cyano-4-phenyltetrahydro-1(2H)-pyrazinecarbimidothioate
TL;DR: methyl N-cyano-4-phenyltetrahydro-1(2H)-pyrazinecarbimidothioate (CAS 86123-51-5) is a chemical compound with molecular formula C13H16N4S and molecular weight 260.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-cyano-4-phenylpiperazine-1-carboximidothioate
Also Known As: methyl N-cyano-4-phenyltetrahydro-1(2H)-pyrazinecarbimidothioate, methyl N-cyano-4-phenylpiperazine-1-carboximidothioate, (Z)-cyano[(methylsulfanyl)(4-phenylpiperazin-1-yl)methylidene]amine, n-cyano-(4-phenyl-1-piperazine)carbimidothioate, (E)-cyano[(methylsulfanyl)(4-phenylpiperazin-1-yl)methylidene]amine
| Molecular Formula | C13H16N4S |
|---|---|
| Molecular Weight | 260.11 g/mol |
| LogP | 2.00868 |
| Topological Polar Surface Area | 42.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.10956 |
| Heavy Atoms | 18 |
| Complexity | 443.80908 |
Chemical Identifiers
| CAS Number | 86123-51-5 |
|---|---|
| SMILES | CSC(=NC#N)N1CCN(CC1)C2=CC=CC=C2 |
Product Overview
methyl N-cyano-4-phenyltetrahydro-1(2H)-pyrazinecarbimidothioate (CAS 86123-51-5), with molecular formula C13H16N4S and molecular weight 260.11 g/mol. IUPAC: methyl N-cyano-4-phenylpiperazine-1-carboximidothioate.
Chemical Property Profile of methyl N-cyano-4-phenyltetrahydro-1(2H)-pyrazinecarbimidothioate
Property Insights of methyl N-cyano-4-phenyltetrahydro-1(2H)-pyrazinecarbimidothioate
The XLogP value of 2.00868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-cyano-4-phenyltetrahydro-1(2H)-pyrazinecarbimidothioate. With a topological polar surface area (TPSA) of 42.63 Ų, methyl N-cyano-4-phenyltetrahydro-1(2H)-pyrazinecarbimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-cyano-4-phenyltetrahydro-1(2H)-pyrazinecarbimidothioate has 0 hydrogen bond donor(s) and 4 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-phenyltetrahydro-1(2H)-pyrazinecarbimidothioate?
The CAS number of methyl N-cyano-4-phenyltetrahydro-1(2H)-pyrazinecarbimidothioate is 86123-51-5.
What is the molecular formula of methyl N-cyano-4-phenyltetrahydro-1(2H)-pyrazinecarbimidothioate?
The molecular formula of methyl N-cyano-4-phenyltetrahydro-1(2H)-pyrazinecarbimidothioate is C13H16N4S.
What is the molecular weight of methyl N-cyano-4-phenyltetrahydro-1(2H)-pyrazinecarbimidothioate?
The molecular weight of methyl N-cyano-4-phenyltetrahydro-1(2H)-pyrazinecarbimidothioate is 260.11 g/mol.
Where can I buy methyl N-cyano-4-phenyltetrahydro-1(2H)-pyrazinecarbimidothioate?
You can request a quote for methyl N-cyano-4-phenyltetrahydro-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-phenyltetrahydro-1(2H)-pyrazinecarbimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-cyano-4-phenyltetrahydro-1(2H)-pyrazinecarbimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.