1-(4-Fluorophenyl)-3-(3-methylbutyl)thiourea
TL;DR: 1-(4-Fluorophenyl)-3-(3-methylbutyl)thiourea (CAS 433257-03-5) is a chemical compound with molecular formula C12H17FN2S and molecular weight 240.10965 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-fluorophenyl)-3-(3-methylbutyl)thiourea
Also Known As: 1-(4-fluorophenyl)-3-(3-methylbutyl)thiourea, N-(4-fluorophenyl)-N'-(3-methylbutyl)thiourea, N-(4-FLUOROPHENYL)-N'-ISOPENTYLTHIOUREA, [(4-fluorophenyl)amino][(3-methylbutyl)amino]methane-1-thione
Technical Specifications
| Molecular Formula | C12H17FN2S |
| Molecular Weight | 240.10965 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.10965 Da |
| Heavy Atoms | 16 |
| Complexity | 213.0 |
| SMILES | CC(C)CCNC(=S)NC1=CC=C(C=C1)F |
| InChIKey | JVQRBKFTSHCKTN-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Fluorophenyl)-3-(3-methylbutyl)thiourea
Property Insights of 1-(4-Fluorophenyl)-3-(3-methylbutyl)thiourea
The XLogP value of 3.3 indicates that 1-(4-Fluorophenyl)-3-(3-methylbutyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.2 Ų, 1-(4-Fluorophenyl)-3-(3-methylbutyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorophenyl)-3-(3-methylbutyl)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
What is the CAS number of 1-(4-Fluorophenyl)-3-(3-methylbutyl)thiourea?
The CAS number of 1-(4-Fluorophenyl)-3-(3-methylbutyl)thiourea is 433257-03-5.
What is the molecular formula of 1-(4-Fluorophenyl)-3-(3-methylbutyl)thiourea?
The molecular formula of 1-(4-Fluorophenyl)-3-(3-methylbutyl)thiourea is C12H17FN2S.
What is the molecular weight of 1-(4-Fluorophenyl)-3-(3-methylbutyl)thiourea?
The molecular weight of 1-(4-Fluorophenyl)-3-(3-methylbutyl)thiourea is 240.10965 g/mol.
Where can I buy 1-(4-Fluorophenyl)-3-(3-methylbutyl)thiourea?
You can request a quote for 1-(4-Fluorophenyl)-3-(3-methylbutyl)thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Fluorophenyl)-3-(3-methylbutyl)thiourea?
Yes, CoreyChem provides custom synthesis services for 1-(4-Fluorophenyl)-3-(3-methylbutyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.