1,1-Diethyl-3-(1-pyridin-2-ylethylamino)thiourea
TL;DR: 1,1-Diethyl-3-(1-pyridin-2-ylethylamino)thiourea (CAS 99616-25-8) is a chemical compound with molecular formula C12H20N4S and molecular weight 252.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-diethyl-3-(1-pyridin-2-ylethylamino)thiourea
Also Known As: 1,1-diethyl-3-(1-pyridin-2-ylethylamino)thiourea, 1-[1-(2-Pyridinyl)ethyl]-4,4-diethylthiosemicarbazide, 3,3-diethyl-1-{[1-(pyridin-2-yl)ethyl]amino}thiourea, N,N-Diethyl-N'-[1-(pyridin-2-yl)ethyl]carbamohydrazonothioic acid
| Molecular Formula | C12H20N4S |
|---|---|
| Molecular Weight | 252.14 g/mol |
| LogP | 1.8635 |
| Topological Polar Surface Area | 40.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.14087 |
| Heavy Atoms | 17 |
| Complexity | 337.61868 |
Chemical Identifiers
| CAS Number | 99616-25-8 |
|---|---|
| SMILES | CCN(CC)C(=S)NNC(C)C1=CC=CC=N1 |
Product Overview
1,1-Diethyl-3-(1-pyridin-2-ylethylamino)thiourea (CAS 99616-25-8), with molecular formula C12H20N4S and molecular weight 252.14 g/mol. IUPAC: 1,1-diethyl-3-(1-pyridin-2-ylethylamino)thiourea.
Chemical Property Profile of 1,1-Diethyl-3-(1-pyridin-2-ylethylamino)thiourea
Property Insights of 1,1-Diethyl-3-(1-pyridin-2-ylethylamino)thiourea
The XLogP value of 1.8635 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Diethyl-3-(1-pyridin-2-ylethylamino)thiourea. With a topological polar surface area (TPSA) of 40.19 Ų, 1,1-Diethyl-3-(1-pyridin-2-ylethylamino)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Diethyl-3-(1-pyridin-2-ylethylamino)thiourea has 2 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 1,1-Diethyl-3-(1-pyridin-2-ylethylamino)thiourea?
The CAS number of 1,1-Diethyl-3-(1-pyridin-2-ylethylamino)thiourea is 99616-25-8.
What is the molecular formula of 1,1-Diethyl-3-(1-pyridin-2-ylethylamino)thiourea?
The molecular formula of 1,1-Diethyl-3-(1-pyridin-2-ylethylamino)thiourea is C12H20N4S.
What is the molecular weight of 1,1-Diethyl-3-(1-pyridin-2-ylethylamino)thiourea?
The molecular weight of 1,1-Diethyl-3-(1-pyridin-2-ylethylamino)thiourea is 252.14 g/mol.
Where can I buy 1,1-Diethyl-3-(1-pyridin-2-ylethylamino)thiourea?
You can request a quote for 1,1-Diethyl-3-(1-pyridin-2-ylethylamino)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Diethyl-3-(1-pyridin-2-ylethylamino)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Diethyl-3-(1-pyridin-2-ylethylamino)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.