1-(3-Fluorophenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
TL;DR: 1-(3-Fluorophenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea (CAS 70618-03-0) is a chemical compound with molecular formula C14H13FN4S and molecular weight 288.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-fluorophenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
Also Known As: 1-(3-fluorophenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea, 1-(3-fluorophenyl)-3-[(E)-1-pyridin-2-ylethylideneamino]thio
| Molecular Formula | C14H13FN4S |
|---|---|
| Molecular Weight | 288.08 g/mol |
| LogP | 2.9313 |
| Topological Polar Surface Area | 49.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.0845 |
| Heavy Atoms | 20 |
| Complexity | 628.0809 |
Chemical Identifiers
| CAS Number | 70618-03-0 |
|---|---|
| SMILES | CC(=NNC(=S)NC1=CC(=CC=C1)F)C2=CC=CC=N2 |
Product Overview
1-(3-Fluorophenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea (CAS 70618-03-0), with molecular formula C14H13FN4S and molecular weight 288.08 g/mol. IUPAC: 1-(3-fluorophenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea.
Chemical Property Profile of 1-(3-Fluorophenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
Property Insights of 1-(3-Fluorophenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
The XLogP value of 2.9313 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Fluorophenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea. With a topological polar surface area (TPSA) of 49.31 Ų, 1-(3-Fluorophenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Fluorophenyl)-3-(1-pyridin-2-ylethylideneamino)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-(3-Fluorophenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea?
The CAS number of 1-(3-Fluorophenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea is 70618-03-0.
What is the molecular formula of 1-(3-Fluorophenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea?
The molecular formula of 1-(3-Fluorophenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea is C14H13FN4S.
What is the molecular weight of 1-(3-Fluorophenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea?
The molecular weight of 1-(3-Fluorophenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea is 288.08 g/mol.
Where can I buy 1-(3-Fluorophenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea?
You can request a quote for 1-(3-Fluorophenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Fluorophenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Fluorophenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.