4-Pyridinecarbothioamide
TL;DR: 4-Pyridinecarbothioamide (CAS 2196-13-6) is a chemical compound with molecular formula C6H6N2S and molecular weight 138.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridine-4-carbothioamide
Also Known As: Thioisonicotinamide, pyridine-4-carbothioamide, 4-PYRIDINECARBOTHIOAMIDE, Isothionicotinamide, 4-Pyridylthioamide
| Molecular Formula | C6H6N2S |
|---|---|
| Molecular Weight | 138.03 g/mol |
| LogP | 0.7158 |
| Topological Polar Surface Area | 38.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.02516 |
| Heavy Atoms | 9 |
| Complexity | 207.55766 |
Chemical Identifiers
| CAS Number | 2196-13-6 |
|---|---|
| SMILES | C1=CN=CC=C1C(=S)N |
Product Overview
4-Pyridinecarbothioamide (CAS 2196-13-6), with molecular formula C6H6N2S and molecular weight 138.03 g/mol. IUPAC: pyridine-4-carbothioamide.
Chemical Property Profile of 4-Pyridinecarbothioamide
Property Insights of 4-Pyridinecarbothioamide
The XLogP value of 0.7158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyridinecarbothioamide. With a topological polar surface area (TPSA) of 38.91 Ų, 4-Pyridinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pyridinecarbothioamide has 1 hydrogen bond donor(s) and 2 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 4-Pyridinecarbothioamide?
The CAS number of 4-Pyridinecarbothioamide is 2196-13-6.
What is the molecular formula of 4-Pyridinecarbothioamide?
The molecular formula of 4-Pyridinecarbothioamide is C6H6N2S.
What is the molecular weight of 4-Pyridinecarbothioamide?
The molecular weight of 4-Pyridinecarbothioamide is 138.03 g/mol.
Where can I buy 4-Pyridinecarbothioamide?
You can request a quote for 4-Pyridinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyridinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyridinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.