methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate
TL;DR: methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate (CAS 1164476-15-6) is a chemical compound with molecular formula C13H15ClN4S and molecular weight 294.0706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(4-chlorophenyl)-N-cyanopiperazine-1-carboximidothioate
Also Known As: methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate, 7C-087, methyl 4-(4-chlorophenyl)-N-cyanopiperazine-1-carboximidothioate, (Z)-{[4-(4-chlorophenyl)piperazin-1-yl](methylsulfanyl)methylidene}(cyano)amine, {[4-(4-chlorophenyl)piperazin-1-yl](methylsulfanyl)methylidene}(cyano)amine
Technical Specifications
| Molecular Formula | C13H15ClN4S |
| Molecular Weight | 294.0706 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 67.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.0706 Da |
| Heavy Atoms | 19 |
| Complexity | 362.0 |
| SMILES | CSC(=NC#N)N1CCN(CC1)C2=CC=C(C=C2)Cl |
| InChIKey | PBXNRZFZDJXAKP-UHFFFAOYSA-N |
Chemical Property Profile of methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate
Property Insights of methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate
The XLogP value of 3.2 indicates that methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate. Following Lipinski's Rule of Five, methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-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
What is the CAS number of methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate?
The CAS number of methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate is 1164476-15-6.
What is the molecular formula of methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate?
The molecular formula of methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate is C13H15ClN4S.
What is the molecular weight of methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate?
The molecular weight of methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate is 294.0706 g/mol.
Where can I buy methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate?
You can request a quote for methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate?
Yes, CoreyChem provides custom synthesis services for methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.