3-(2-Fluorophenyl)-1,1-dimethylthiourea
TL;DR: 3-(2-Fluorophenyl)-1,1-dimethylthiourea (CAS 455883-00-8) 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.
3-(2-fluorophenyl)-1,1-dimethylthiourea
Also Known As: 3-(2-fluorophenyl)-1,1-dimethylthiourea, Thiourea, N'-(2-fluorophenyl)-N,N-dimethyl-
| Molecular Formula | C9H11FN2S |
|---|---|
| Molecular Weight | 198.06 g/mol |
| LogP | 2.0841 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.0627 |
| Heavy Atoms | 13 |
| Complexity | 312.23795 |
Chemical Identifiers
| CAS Number | 455883-00-8 |
|---|---|
| SMILES | CN(C)C(=S)NC1=CC=CC=C1F |
Product Overview
3-(2-Fluorophenyl)-1,1-dimethylthiourea (CAS 455883-00-8), with molecular formula C9H11FN2S and molecular weight 198.06 g/mol. IUPAC: 3-(2-fluorophenyl)-1,1-dimethylthiourea.
Chemical Property Profile of 3-(2-Fluorophenyl)-1,1-dimethylthiourea
Property Insights of 3-(2-Fluorophenyl)-1,1-dimethylthiourea
The XLogP value of 2.0841 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Fluorophenyl)-1,1-dimethylthiourea. With a topological polar surface area (TPSA) of 15.27 Ų, 3-(2-Fluorophenyl)-1,1-dimethylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Fluorophenyl)-1,1-dimethylthiourea has 1 hydrogen bond donor(s) and 1 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 3-(2-Fluorophenyl)-1,1-dimethylthiourea?
The CAS number of 3-(2-Fluorophenyl)-1,1-dimethylthiourea is 455883-00-8.
What is the molecular formula of 3-(2-Fluorophenyl)-1,1-dimethylthiourea?
The molecular formula of 3-(2-Fluorophenyl)-1,1-dimethylthiourea is C9H11FN2S.
What is the molecular weight of 3-(2-Fluorophenyl)-1,1-dimethylthiourea?
The molecular weight of 3-(2-Fluorophenyl)-1,1-dimethylthiourea is 198.06 g/mol.
Where can I buy 3-(2-Fluorophenyl)-1,1-dimethylthiourea?
You can request a quote for 3-(2-Fluorophenyl)-1,1-dimethylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Fluorophenyl)-1,1-dimethylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Fluorophenyl)-1,1-dimethylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.