S-ethyl N-(pyridine-4-carbonylamino)carbamothioate
TL;DR: S-ethyl N-(pyridine-4-carbonylamino)carbamothioate (CAS 881-04-9) is a chemical compound with molecular formula C9H11N3O2S and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl N-(pyridine-4-carbonylamino)carbamothioate
Also Known As: Isoniazid analog, NCIOpen2_002857, S-ethyl N-(pyridine-4-carbonylamino)carbamothioate, S-Ethyl 2-isonicotinoylhydrazinecarbothioate, s-ethyl 2-(pyridin-4-ylcarbonyl)hydrazinecarbothioate
| Molecular Formula | C9H11N3O2S |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.0572 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 881-04-9 |
|---|---|
| SMILES | CCSC(=O)NNC(=O)C1=CC=NC=C1 |
| InChIKey | ZQGCSLMASLAFFE-UHFFFAOYSA-N |
Product Overview
S-ethyl N-(pyridine-4-carbonylamino)carbamothioate (CAS 881-04-9), with molecular formula C9H11N3O2S and molecular weight 225.06 g/mol. IUPAC: S-ethyl N-(pyridine-4-carbonylamino)carbamothioate.
Chemical Property Profile of S-ethyl N-(pyridine-4-carbonylamino)carbamothioate
Property Insights of S-ethyl N-(pyridine-4-carbonylamino)carbamothioate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-ethyl N-(pyridine-4-carbonylamino)carbamothioate. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for S-ethyl N-(pyridine-4-carbonylamino)carbamothioate. Following Lipinski's Rule of Five, S-ethyl N-(pyridine-4-carbonylamino)carbamothioate has 2 hydrogen bond donor(s) and 4 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 S-ethyl N-(pyridine-4-carbonylamino)carbamothioate?
The CAS number of S-ethyl N-(pyridine-4-carbonylamino)carbamothioate is 881-04-9.
What is the molecular formula of S-ethyl N-(pyridine-4-carbonylamino)carbamothioate?
The molecular formula of S-ethyl N-(pyridine-4-carbonylamino)carbamothioate is C9H11N3O2S.
What is the molecular weight of S-ethyl N-(pyridine-4-carbonylamino)carbamothioate?
The molecular weight of S-ethyl N-(pyridine-4-carbonylamino)carbamothioate is 225.06 g/mol.
Where can I buy S-ethyl N-(pyridine-4-carbonylamino)carbamothioate?
You can request a quote for S-ethyl N-(pyridine-4-carbonylamino)carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-ethyl N-(pyridine-4-carbonylamino)carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-ethyl N-(pyridine-4-carbonylamino)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.