Pyrazinethiocarboxamide
TL;DR: Pyrazinethiocarboxamide (CAS 4604-72-2) is a chemical compound with molecular formula C5H5N3S and molecular weight 139.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrazine-2-carbothioamide
Also Known As: pyrazine-2-carbothioamide, Pyrazinecarbothioamide, Thiopyrazinamide, Pyrazinecarboxamide, thio-, 2-Pyrazinecarbothioamide
| Molecular Formula | C5H5N3S |
|---|---|
| Molecular Weight | 139.02 g/mol |
| LogP | 0.1108 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.02042 |
| Heavy Atoms | 9 |
| Complexity | 208.70291 |
Chemical Identifiers
| CAS Number | 4604-72-2 |
|---|---|
| SMILES | C1=CN=C(C=N1)C(=S)N |
Product Overview
Pyrazinethiocarboxamide (CAS 4604-72-2), with molecular formula C5H5N3S and molecular weight 139.02 g/mol. IUPAC: pyrazine-2-carbothioamide.
Chemical Property Profile of Pyrazinethiocarboxamide
Property Insights of Pyrazinethiocarboxamide
The XLogP value of 0.1108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazinethiocarboxamide. With a topological polar surface area (TPSA) of 51.8 Ų, Pyrazinethiocarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazinethiocarboxamide has 1 hydrogen bond donor(s) and 3 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 Pyrazinethiocarboxamide?
The CAS number of Pyrazinethiocarboxamide is 4604-72-2.
What is the molecular formula of Pyrazinethiocarboxamide?
The molecular formula of Pyrazinethiocarboxamide is C5H5N3S.
What is the molecular weight of Pyrazinethiocarboxamide?
The molecular weight of Pyrazinethiocarboxamide is 139.02 g/mol.
Where can I buy Pyrazinethiocarboxamide?
You can request a quote for Pyrazinethiocarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazinethiocarboxamide?
Yes, KEHONG BIO provides custom synthesis services for Pyrazinethiocarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.