丙硫異煙胺
TL;DR: 丙硫異煙胺 (CAS 1422264-48-9) is a chemical compound with molecular formula C9H12N2S and molecular weight 180.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙硫異煙胺
2-propylpyridine-4-carbothioamide
Also Known As: Protionamide, prothionamide, Ektebin, Trevintix, Protionamid
| Molecular Formula | C9H12N2S |
|---|---|
| Molecular Weight | 180.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.07211 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 1422264-48-9 |
|---|---|
| SMILES | CCCC1=NC=CC(=C1)C(=S)N |
| InChIKey | VRDIULHPQTYCLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙硫異煙胺 (CAS 1422264-48-9), with molecular formula C9H12N2S and molecular weight 180.07 g/mol. IUPAC: 2-propylpyridine-4-carbothioamide.
Chemical Property Profile of 丙硫異煙胺
Property Insights of 丙硫異煙胺
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙硫異煙胺. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 丙硫異煙胺. Following Lipinski's Rule of Five, 丙硫異煙胺 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 丙硫異煙胺?
The CAS number of 丙硫異煙胺 is 1422264-48-9.
What is the molecular formula of 丙硫異煙胺?
The molecular formula of 丙硫異煙胺 is C9H12N2S.
What is the molecular weight of 丙硫異煙胺?
The molecular weight of 丙硫異煙胺 is 180.07 g/mol.
Where can I buy 丙硫異煙胺?
You can request a quote for 丙硫異煙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙硫異煙胺?
Yes, KEHONG BIO provides custom synthesis services for 丙硫異煙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.