5-ethyl-N-phenylpyridine-2-carbothioamide
TL;DR: 5-ethyl-N-phenylpyridine-2-carbothioamide (CAS 785-29-5) is a chemical compound with molecular formula C14H14N2S and molecular weight 242.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-N-phenylpyridine-2-carbothioamide
Also Known As: 5-ethyl-N-phenylpyridine-2-carbothioamide, 5-ethyl-N-phenyl-2-pyridinecarbothioamide, 2-pyridinecarbothioamide,5-ethyl-n-phenyl-, BAS 00547468, 2-Pyridinecarbothioamide, 5-ethyl-N-phenyl-
| Molecular Formula | C14H14N2S |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.08777 |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 785-29-5 |
|---|---|
| SMILES | CCC1=CN=C(C=C1)C(=S)NC2=CC=CC=C2 |
| InChIKey | BOXPADXBMOGYIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-ethyl-N-phenylpyridine-2-carbothioamide (CAS 785-29-5), with molecular formula C14H14N2S and molecular weight 242.09 g/mol. IUPAC: 5-ethyl-N-phenylpyridine-2-carbothioamide.
Chemical Property Profile of 5-ethyl-N-phenylpyridine-2-carbothioamide
Property Insights of 5-ethyl-N-phenylpyridine-2-carbothioamide
The XLogP value of 3.4 indicates that 5-ethyl-N-phenylpyridine-2-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.0 Ų, 5-ethyl-N-phenylpyridine-2-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-ethyl-N-phenylpyridine-2-carbothioamide 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 5-ethyl-N-phenylpyridine-2-carbothioamide?
The CAS number of 5-ethyl-N-phenylpyridine-2-carbothioamide is 785-29-5.
What is the molecular formula of 5-ethyl-N-phenylpyridine-2-carbothioamide?
The molecular formula of 5-ethyl-N-phenylpyridine-2-carbothioamide is C14H14N2S.
What is the molecular weight of 5-ethyl-N-phenylpyridine-2-carbothioamide?
The molecular weight of 5-ethyl-N-phenylpyridine-2-carbothioamide is 242.09 g/mol.
Where can I buy 5-ethyl-N-phenylpyridine-2-carbothioamide?
You can request a quote for 5-ethyl-N-phenylpyridine-2-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-ethyl-N-phenylpyridine-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 5-ethyl-N-phenylpyridine-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.