2-Ethylthioisonicotinamide monohydrochloride
TL;DR: 2-Ethylthioisonicotinamide monohydrochloride (CAS 3684-84-2) is a chemical compound with molecular formula C8H11ClN2S and molecular weight 202.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylpyridine-4-carbothioamide;hydrochloride
Also Known As: Amidazine, Trecator, Ethionamide HCl, Ethionamide hydrochloride, 2-Ethylthioisonicotinamide monohydrochloride
| Molecular Formula | C8H11ClN2S |
|---|---|
| Molecular Weight | 202.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 38.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.03314 |
| Heavy Atoms | 12 |
| Complexity | 275.5153 |
Chemical Identifiers
| CAS Number | 3684-84-2 |
|---|---|
| SMILES | CCC1=NC=CC(=C1)C(=S)N.Cl |
Product Overview
2-Ethylthioisonicotinamide monohydrochloride (CAS 3684-84-2), with molecular formula C8H11ClN2S and molecular weight 202.03 g/mol. IUPAC: 2-ethylpyridine-4-carbothioamide;hydrochloride.
Chemical Property Profile of 2-Ethylthioisonicotinamide monohydrochloride
Property Insights of 2-Ethylthioisonicotinamide monohydrochloride
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylthioisonicotinamide monohydrochloride. With a topological polar surface area (TPSA) of 38.91 Ų, 2-Ethylthioisonicotinamide monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylthioisonicotinamide monohydrochloride 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 2-Ethylthioisonicotinamide monohydrochloride?
The CAS number of 2-Ethylthioisonicotinamide monohydrochloride is 3684-84-2.
What is the molecular formula of 2-Ethylthioisonicotinamide monohydrochloride?
The molecular formula of 2-Ethylthioisonicotinamide monohydrochloride is C8H11ClN2S.
What is the molecular weight of 2-Ethylthioisonicotinamide monohydrochloride?
The molecular weight of 2-Ethylthioisonicotinamide monohydrochloride is 202.03 g/mol.
Where can I buy 2-Ethylthioisonicotinamide monohydrochloride?
You can request a quote for 2-Ethylthioisonicotinamide monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylthioisonicotinamide monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylthioisonicotinamide monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.