methyl 2-amino-5-chloro-6-sulfanylidene-1H-pyrazine-3-carboxylate
TL;DR: methyl 2-amino-5-chloro-6-sulfanylidene-1H-pyrazine-3-carboxylate (CAS 1131-24-4) is a chemical compound with molecular formula C6H6ClN3O2S and molecular weight 218.98692 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-amino-5-chloro-6-sulfanylidene-1H-pyrazine-3-carboxylate
Also Known As: methyl 3-amino-6-chloro-5-mercaptopyrazine-2-carboxylate, methyl 3-amino-6-chloro-5-sulfanylpyrazine-2-carboxylate, methyl 2-amino-5-chloro-6-sulfanylidene-1H-pyrazine-3-carboxylate, methyl 3-amino-6-chloro-5-thioxo-4,5-dihydropyrazine-2-carboxylate
Technical Specifications
| Molecular Formula | C6H6ClN3O2S |
| Molecular Weight | 218.98692 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.98692 Da |
| Heavy Atoms | 13 |
| Complexity | 337.0 |
| SMILES | COC(=O)C1=C(NC(=S)C(=N1)Cl)N |
| InChIKey | VYNNDHCOWCZSFJ-UHFFFAOYSA-N |
Chemical Property Profile of methyl 2-amino-5-chloro-6-sulfanylidene-1H-pyrazine-3-carboxylate
Property Insights of methyl 2-amino-5-chloro-6-sulfanylidene-1H-pyrazine-3-carboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-amino-5-chloro-6-sulfanylidene-1H-pyrazine-3-carboxylate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-amino-5-chloro-6-sulfanylidene-1H-pyrazine-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-amino-5-chloro-6-sulfanylidene-1H-pyrazine-3-carboxylate 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
What is the CAS number of methyl 2-amino-5-chloro-6-sulfanylidene-1H-pyrazine-3-carboxylate?
The CAS number of methyl 2-amino-5-chloro-6-sulfanylidene-1H-pyrazine-3-carboxylate is 1131-24-4.
What is the molecular formula of methyl 2-amino-5-chloro-6-sulfanylidene-1H-pyrazine-3-carboxylate?
The molecular formula of methyl 2-amino-5-chloro-6-sulfanylidene-1H-pyrazine-3-carboxylate is C6H6ClN3O2S.
What is the molecular weight of methyl 2-amino-5-chloro-6-sulfanylidene-1H-pyrazine-3-carboxylate?
The molecular weight of methyl 2-amino-5-chloro-6-sulfanylidene-1H-pyrazine-3-carboxylate is 218.98692 g/mol.
Where can I buy methyl 2-amino-5-chloro-6-sulfanylidene-1H-pyrazine-3-carboxylate?
You can request a quote for methyl 2-amino-5-chloro-6-sulfanylidene-1H-pyrazine-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 2-amino-5-chloro-6-sulfanylidene-1H-pyrazine-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 2-amino-5-chloro-6-sulfanylidene-1H-pyrazine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.