Ethanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester
TL;DR: Ethanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester (CAS 133280-15-6) is a chemical compound with molecular formula C9H8N4OS and molecular weight 220.04189 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-(1-ethenylpyrazolo[3,4-b]pyrazin-5-yl) ethanethioate
Also Known As: S-(1-Ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ethanethioate, Ethanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester, S-(1-ethenylpyrazolo[3,4-b]pyrazin-5-yl) ethanethioate, S-(1-Ethenyl-1H-pyrazolo[3,4-b]pyrazin-5-yl) ethanethioate
Technical Specifications
| Molecular Formula | C9H8N4OS |
| Molecular Weight | 220.04189 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 86.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.04189 Da |
| Heavy Atoms | 15 |
| Complexity | 273.0 |
| SMILES | CC(=O)SC1=CN=C2C(=N1)C=NN2C=C |
| InChIKey | PURDLONUZVWWIE-UHFFFAOYSA-N |
Chemical Property Profile of Ethanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester
Property Insights of Ethanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester. The TPSA of 86.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester. Following Lipinski's Rule of Five, Ethanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester has 0 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 Ethanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester?
The CAS number of Ethanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester is 133280-15-6.
What is the molecular formula of Ethanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester?
The molecular formula of Ethanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester is C9H8N4OS.
What is the molecular weight of Ethanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester?
The molecular weight of Ethanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester is 220.04189 g/mol.
Where can I buy Ethanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester?
You can request a quote for Ethanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester?
Yes, CoreyChem provides custom synthesis services for Ethanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.