![ethyl N-{[(5-chloro-2-pyridinyl)amino]carbothioyl}carbamate structure](/static/products/7885/78852-50-3.webp)
ethyl N-{[(5-chloro-2-pyridinyl)amino]carbothioyl}carbamate
TL;DR: ethyl N-{[(5-chloro-2-pyridinyl)amino]carbothioyl}carbamate (CAS 78852-50-3) is a chemical compound with molecular formula C9H10ClN3O2S and molecular weight 259.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[(5-chloro-2-pyridinyl)carbamothioyl]carbamate
Also Known As: ethyl N-{[(5-chloro-2-pyridinyl)amino]carbothioyl}carbamate, ethyl N-[(5-chloropyridin-2-yl)carbamothioyl]carbamate, Ethyl N-(((5-chloro-2-pyridinyl)amino)carbothioyl)carbamate, Ethyl [(5-chloropyridin-2-yl)carbamothioyl]carbamate, 12J-530S
| Molecular Formula | C9H10ClN3O2S |
|---|---|
| Molecular Weight | 259.02 g/mol |
| LogP | 2.1779 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.01822 |
| Heavy Atoms | 16 |
| Complexity | 382.84543 |
Chemical Identifiers
| CAS Number | 78852-50-3 |
|---|---|
| SMILES | CCOC(=O)NC(=S)NC1=NC=C(C=C1)Cl |
Product Overview
ethyl N-{[(5-chloro-2-pyridinyl)amino]carbothioyl}carbamate (CAS 78852-50-3), with molecular formula C9H10ClN3O2S and molecular weight 259.02 g/mol. IUPAC: ethyl N-[(5-chloro-2-pyridinyl)carbamothioyl]carbamate.
Chemical Property Profile of ethyl N-{[(5-chloro-2-pyridinyl)amino]carbothioyl}carbamate
Property Insights of ethyl N-{[(5-chloro-2-pyridinyl)amino]carbothioyl}carbamate
The XLogP value of 2.1779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-{[(5-chloro-2-pyridinyl)amino]carbothioyl}carbamate. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-{[(5-chloro-2-pyridinyl)amino]carbothioyl}carbamate. Following Lipinski's Rule of Five, ethyl N-{[(5-chloro-2-pyridinyl)amino]carbothioyl}carbamate has 2 hydrogen bond donor(s) and 4 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 ethyl N-{[(5-chloro-2-pyridinyl)amino]carbothioyl}carbamate?
The CAS number of ethyl N-{[(5-chloro-2-pyridinyl)amino]carbothioyl}carbamate is 78852-50-3.
What is the molecular formula of ethyl N-{[(5-chloro-2-pyridinyl)amino]carbothioyl}carbamate?
The molecular formula of ethyl N-{[(5-chloro-2-pyridinyl)amino]carbothioyl}carbamate is C9H10ClN3O2S.
What is the molecular weight of ethyl N-{[(5-chloro-2-pyridinyl)amino]carbothioyl}carbamate?
The molecular weight of ethyl N-{[(5-chloro-2-pyridinyl)amino]carbothioyl}carbamate is 259.02 g/mol.
Where can I buy ethyl N-{[(5-chloro-2-pyridinyl)amino]carbothioyl}carbamate?
You can request a quote for ethyl N-{[(5-chloro-2-pyridinyl)amino]carbothioyl}carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-{[(5-chloro-2-pyridinyl)amino]carbothioyl}carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-{[(5-chloro-2-pyridinyl)amino]carbothioyl}carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.