1-Ethyl-3-(4-fluorophenyl)thiourea
TL;DR: 1-Ethyl-3-(4-fluorophenyl)thiourea (CAS 61449-56-7) is a chemical compound with molecular formula C9H11FN2S and molecular weight 198.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-(4-fluorophenyl)thiourea
Also Known As: 1-ethyl-3-(4-fluorophenyl)thiourea, TimTec1_001710, N-Ethyl-N'-(4-fluorophenyl)thiourea, N-ethyl-N'-(4-fluorophenyl) thiourea, Thiourea, N-ethyl-N'-(4-fluorophenyl)-
| Molecular Formula | C9H11FN2S |
|---|---|
| Molecular Weight | 198.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.0627 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 61449-56-7 |
|---|---|
| SMILES | CCNC(=S)NC1=CC=C(C=C1)F |
| InChIKey | XRVNUUHZOBJAQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethyl-3-(4-fluorophenyl)thiourea (CAS 61449-56-7), with molecular formula C9H11FN2S and molecular weight 198.06 g/mol. IUPAC: 1-ethyl-3-(4-fluorophenyl)thiourea.
Chemical Property Profile of 1-Ethyl-3-(4-fluorophenyl)thiourea
Property Insights of 1-Ethyl-3-(4-fluorophenyl)thiourea
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-3-(4-fluorophenyl)thiourea. With a topological polar surface area (TPSA) of 56.2 Ų, 1-Ethyl-3-(4-fluorophenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-3-(4-fluorophenyl)thiourea has 2 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 1-Ethyl-3-(4-fluorophenyl)thiourea?
The CAS number of 1-Ethyl-3-(4-fluorophenyl)thiourea is 61449-56-7.
What is the molecular formula of 1-Ethyl-3-(4-fluorophenyl)thiourea?
The molecular formula of 1-Ethyl-3-(4-fluorophenyl)thiourea is C9H11FN2S.
What is the molecular weight of 1-Ethyl-3-(4-fluorophenyl)thiourea?
The molecular weight of 1-Ethyl-3-(4-fluorophenyl)thiourea is 198.06 g/mol.
Where can I buy 1-Ethyl-3-(4-fluorophenyl)thiourea?
You can request a quote for 1-Ethyl-3-(4-fluorophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-3-(4-fluorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-3-(4-fluorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.