N-(2-pyridin-2-ylethyl)benzenecarbothioamide
TL;DR: N-(2-pyridin-2-ylethyl)benzenecarbothioamide (CAS 724742-19-2) 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.
N-(2-pyridin-2-ylethyl)benzenecarbothioamide
Also Known As: N-(2-pyridin-2-ylethyl)benzenecarbothioamide, N-[2-(2-pyridinyl)ethyl]benzenecarbothioamide, AQ-776/42801211
| Molecular Formula | C14H14N2S |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.08777 |
| Heavy Atoms | 17 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 724742-19-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=S)NCCC2=CC=CC=N2 |
| InChIKey | KHUUNZRVNJULHR-UHFFFAOYSA-N |
Product Overview
N-(2-pyridin-2-ylethyl)benzenecarbothioamide (CAS 724742-19-2), with molecular formula C14H14N2S and molecular weight 242.09 g/mol. IUPAC: N-(2-pyridin-2-ylethyl)benzenecarbothioamide.
Chemical Property Profile of N-(2-pyridin-2-ylethyl)benzenecarbothioamide
Property Insights of N-(2-pyridin-2-ylethyl)benzenecarbothioamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-pyridin-2-ylethyl)benzenecarbothioamide. With a topological polar surface area (TPSA) of 57.0 Ų, N-(2-pyridin-2-ylethyl)benzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-pyridin-2-ylethyl)benzenecarbothioamide 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 N-(2-pyridin-2-ylethyl)benzenecarbothioamide?
The CAS number of N-(2-pyridin-2-ylethyl)benzenecarbothioamide is 724742-19-2.
What is the molecular formula of N-(2-pyridin-2-ylethyl)benzenecarbothioamide?
The molecular formula of N-(2-pyridin-2-ylethyl)benzenecarbothioamide is C14H14N2S.
What is the molecular weight of N-(2-pyridin-2-ylethyl)benzenecarbothioamide?
The molecular weight of N-(2-pyridin-2-ylethyl)benzenecarbothioamide is 242.09 g/mol.
Where can I buy N-(2-pyridin-2-ylethyl)benzenecarbothioamide?
You can request a quote for N-(2-pyridin-2-ylethyl)benzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-pyridin-2-ylethyl)benzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-pyridin-2-ylethyl)benzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.