乙硫异烟胺
TL;DR: 乙硫异烟胺 (CAS 161735-79-1) is a chemical compound with molecular formula C8H10N2S and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙硫异烟胺
2-ethylpyridine-4-carbothioamide
Also Known As: ethionamide, Trecator, Ethioniamide, Amidazine, Ethyonomide
| Molecular Formula | C8H10N2S |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.2782 |
| Topological Polar Surface Area | 38.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.05647 |
| Heavy Atoms | 11 |
| Complexity | 270.5495 |
Chemical Identifiers
| CAS Number | 161735-79-1 |
|---|---|
| SMILES | CCC1=NC=CC(=C1)C(=S)N |
Product Overview
乙硫异烟胺 (CAS 161735-79-1), with molecular formula C8H10N2S and molecular weight 166.06 g/mol. IUPAC: 2-ethylpyridine-4-carbothioamide.
Chemical Property Profile of 乙硫异烟胺
Property Insights of 乙硫异烟胺
The XLogP value of 1.2782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙硫异烟胺. With a topological polar surface area (TPSA) of 38.91 Ų, 乙硫异烟胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙硫异烟胺 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 乙硫异烟胺?
The CAS number of 乙硫异烟胺 is 161735-79-1.
What is the molecular formula of 乙硫异烟胺?
The molecular formula of 乙硫异烟胺 is C8H10N2S.
What is the molecular weight of 乙硫异烟胺?
The molecular weight of 乙硫异烟胺 is 166.06 g/mol.
Where can I buy 乙硫异烟胺?
You can request a quote for 乙硫异烟胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙硫异烟胺?
Yes, KEHONG BIO provides custom synthesis services for 乙硫异烟胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.