![1-[2-(Dimethylamino)ethyl]-3-(4-fluorophenyl)thiourea structure](/static/products/4535/453514-80-2.webp)
1-[2-(Dimethylamino)ethyl]-3-(4-fluorophenyl)thiourea
TL;DR: 1-[2-(Dimethylamino)ethyl]-3-(4-fluorophenyl)thiourea (CAS 453514-80-2) is a chemical compound with molecular formula C11H16FN3S and molecular weight 241.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)thiourea
Also Known As: 1-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)thiourea, 1-(2-dimethylaminoethyl)-3-(4-fluorophenyl)thiourea
| Molecular Formula | C11H16FN3S |
|---|---|
| Molecular Weight | 241.10 g/mol |
| LogP | 1.6737 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.1049 |
| Heavy Atoms | 16 |
| Complexity | 337.58783 |
Chemical Identifiers
| CAS Number | 453514-80-2 |
|---|---|
| SMILES | CN(C)CCNC(=S)NC1=CC=C(C=C1)F |
Product Overview
1-[2-(Dimethylamino)ethyl]-3-(4-fluorophenyl)thiourea (CAS 453514-80-2), with molecular formula C11H16FN3S and molecular weight 241.10 g/mol. IUPAC: 1-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)thiourea.
Chemical Property Profile of 1-[2-(Dimethylamino)ethyl]-3-(4-fluorophenyl)thiourea
Property Insights of 1-[2-(Dimethylamino)ethyl]-3-(4-fluorophenyl)thiourea
The XLogP value of 1.6737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(Dimethylamino)ethyl]-3-(4-fluorophenyl)thiourea. With a topological polar surface area (TPSA) of 27.3 Ų, 1-[2-(Dimethylamino)ethyl]-3-(4-fluorophenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(Dimethylamino)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-[2-(Dimethylamino)ethyl]-3-(4-fluorophenyl)thiourea?
The CAS number of 1-[2-(Dimethylamino)ethyl]-3-(4-fluorophenyl)thiourea is 453514-80-2.
What is the molecular formula of 1-[2-(Dimethylamino)ethyl]-3-(4-fluorophenyl)thiourea?
The molecular formula of 1-[2-(Dimethylamino)ethyl]-3-(4-fluorophenyl)thiourea is C11H16FN3S.
What is the molecular weight of 1-[2-(Dimethylamino)ethyl]-3-(4-fluorophenyl)thiourea?
The molecular weight of 1-[2-(Dimethylamino)ethyl]-3-(4-fluorophenyl)thiourea is 241.10 g/mol.
Where can I buy 1-[2-(Dimethylamino)ethyl]-3-(4-fluorophenyl)thiourea?
You can request a quote for 1-[2-(Dimethylamino)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-[2-(Dimethylamino)ethyl]-3-(4-fluorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(Dimethylamino)ethyl]-3-(4-fluorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.