1-Butan-2-yl-3-(3-fluorophenyl)thiourea
TL;DR: 1-Butan-2-yl-3-(3-fluorophenyl)thiourea (CAS 690709-14-9) is a chemical compound with molecular formula C11H15FN2S and molecular weight 226.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-3-(3-fluorophenyl)thiourea
Also Known As: 1-butan-2-yl-3-(3-fluorophenyl)thiourea
| Molecular Formula | C11H15FN2S |
|---|---|
| Molecular Weight | 226.09 g/mol |
| LogP | 2.9106 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.094 |
| Heavy Atoms | 15 |
| Complexity | 341.11475 |
Chemical Identifiers
| CAS Number | 690709-14-9 |
|---|---|
| SMILES | CCC(C)NC(=S)NC1=CC(=CC=C1)F |
Product Overview
1-Butan-2-yl-3-(3-fluorophenyl)thiourea (CAS 690709-14-9), with molecular formula C11H15FN2S and molecular weight 226.09 g/mol. IUPAC: 1-butan-2-yl-3-(3-fluorophenyl)thiourea.
Chemical Property Profile of 1-Butan-2-yl-3-(3-fluorophenyl)thiourea
Property Insights of 1-Butan-2-yl-3-(3-fluorophenyl)thiourea
The XLogP value of 2.9106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butan-2-yl-3-(3-fluorophenyl)thiourea. With a topological polar surface area (TPSA) of 24.06 Ų, 1-Butan-2-yl-3-(3-fluorophenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butan-2-yl-3-(3-fluorophenyl)thiourea has 2 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 1-Butan-2-yl-3-(3-fluorophenyl)thiourea?
The CAS number of 1-Butan-2-yl-3-(3-fluorophenyl)thiourea is 690709-14-9.
What is the molecular formula of 1-Butan-2-yl-3-(3-fluorophenyl)thiourea?
The molecular formula of 1-Butan-2-yl-3-(3-fluorophenyl)thiourea is C11H15FN2S.
What is the molecular weight of 1-Butan-2-yl-3-(3-fluorophenyl)thiourea?
The molecular weight of 1-Butan-2-yl-3-(3-fluorophenyl)thiourea is 226.09 g/mol.
Where can I buy 1-Butan-2-yl-3-(3-fluorophenyl)thiourea?
You can request a quote for 1-Butan-2-yl-3-(3-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-Butan-2-yl-3-(3-fluorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Butan-2-yl-3-(3-fluorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.