1-Butyl-3-(pyridine-3-carbonylamino)thiourea
TL;DR: 1-Butyl-3-(pyridine-3-carbonylamino)thiourea (CAS 109962-39-2) is a chemical compound with molecular formula C11H16N4OS and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-(pyridine-3-carbonylamino)thiourea
Also Known As: 1-butyl-3-(pyridine-3-carbonylamino)thiourea, N-butyl-2-(3-pyridinylcarbonyl)hydrazinecarbothioamide, N-{[(butylamino)thioxomethyl]amino}-3-pyridylcarboxamide, N-butyl-2-(pyridin-3-ylcarbonyl)hydrazinecarbothioamide
| Molecular Formula | C11H16N4OS |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 0.9906 |
| Topological Polar Surface Area | 66.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.10448 |
| Heavy Atoms | 17 |
| Complexity | 368.994 |
Chemical Identifiers
| CAS Number | 109962-39-2 |
|---|---|
| SMILES | CCCCNC(=S)NNC(=O)C1=CN=CC=C1 |
Product Overview
1-Butyl-3-(pyridine-3-carbonylamino)thiourea (CAS 109962-39-2), with molecular formula C11H16N4OS and molecular weight 252.10 g/mol. IUPAC: 1-butyl-3-(pyridine-3-carbonylamino)thiourea.
Chemical Property Profile of 1-Butyl-3-(pyridine-3-carbonylamino)thiourea
Property Insights of 1-Butyl-3-(pyridine-3-carbonylamino)thiourea
The XLogP value of 0.9906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-3-(pyridine-3-carbonylamino)thiourea. The TPSA of 66.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-3-(pyridine-3-carbonylamino)thiourea. Following Lipinski's Rule of Five, 1-Butyl-3-(pyridine-3-carbonylamino)thiourea has 3 hydrogen bond donor(s) and 3 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 1-Butyl-3-(pyridine-3-carbonylamino)thiourea?
The CAS number of 1-Butyl-3-(pyridine-3-carbonylamino)thiourea is 109962-39-2.
What is the molecular formula of 1-Butyl-3-(pyridine-3-carbonylamino)thiourea?
The molecular formula of 1-Butyl-3-(pyridine-3-carbonylamino)thiourea is C11H16N4OS.
What is the molecular weight of 1-Butyl-3-(pyridine-3-carbonylamino)thiourea?
The molecular weight of 1-Butyl-3-(pyridine-3-carbonylamino)thiourea is 252.10 g/mol.
Where can I buy 1-Butyl-3-(pyridine-3-carbonylamino)thiourea?
You can request a quote for 1-Butyl-3-(pyridine-3-carbonylamino)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-3-(pyridine-3-carbonylamino)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-3-(pyridine-3-carbonylamino)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.