1-(3-Chloro-4-fluorophenyl)-5-ethyl-1,3,5-triazinane-2-thione
TL;DR: 1-(3-Chloro-4-fluorophenyl)-5-ethyl-1,3,5-triazinane-2-thione (CAS 685130-74-9) is a chemical compound with molecular formula C11H13ClFN3S and molecular weight 273.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-fluorophenyl)-5-ethyl-1,3,5-triazinane-2-thione
Also Known As: 1-(3-chloro-4-fluorophenyl)-5-ethyl-1,3,5-triazinane-2-thione, 1-(3-chloro-4-fluoro-phenyl)-5-ethyl-1,3,5-triazinane-2-thione
| Molecular Formula | C11H13ClFN3S |
|---|---|
| Molecular Weight | 273.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.05026 |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 685130-74-9 |
|---|---|
| SMILES | CCN1CNC(=S)N(C1)C2=CC(=C(C=C2)F)Cl |
| InChIKey | UDPPPOYWZSPVPK-UHFFFAOYSA-N |
Product Overview
1-(3-Chloro-4-fluorophenyl)-5-ethyl-1,3,5-triazinane-2-thione (CAS 685130-74-9), with molecular formula C11H13ClFN3S and molecular weight 273.05 g/mol. IUPAC: 1-(3-chloro-4-fluorophenyl)-5-ethyl-1,3,5-triazinane-2-thione.
Chemical Property Profile of 1-(3-Chloro-4-fluorophenyl)-5-ethyl-1,3,5-triazinane-2-thione
Property Insights of 1-(3-Chloro-4-fluorophenyl)-5-ethyl-1,3,5-triazinane-2-thione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chloro-4-fluorophenyl)-5-ethyl-1,3,5-triazinane-2-thione. With a topological polar surface area (TPSA) of 50.6 Ų, 1-(3-Chloro-4-fluorophenyl)-5-ethyl-1,3,5-triazinane-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloro-4-fluorophenyl)-5-ethyl-1,3,5-triazinane-2-thione has 1 hydrogen bond donor(s) and 3 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-(3-Chloro-4-fluorophenyl)-5-ethyl-1,3,5-triazinane-2-thione?
The CAS number of 1-(3-Chloro-4-fluorophenyl)-5-ethyl-1,3,5-triazinane-2-thione is 685130-74-9.
What is the molecular formula of 1-(3-Chloro-4-fluorophenyl)-5-ethyl-1,3,5-triazinane-2-thione?
The molecular formula of 1-(3-Chloro-4-fluorophenyl)-5-ethyl-1,3,5-triazinane-2-thione is C11H13ClFN3S.
What is the molecular weight of 1-(3-Chloro-4-fluorophenyl)-5-ethyl-1,3,5-triazinane-2-thione?
The molecular weight of 1-(3-Chloro-4-fluorophenyl)-5-ethyl-1,3,5-triazinane-2-thione is 273.05 g/mol.
Where can I buy 1-(3-Chloro-4-fluorophenyl)-5-ethyl-1,3,5-triazinane-2-thione?
You can request a quote for 1-(3-Chloro-4-fluorophenyl)-5-ethyl-1,3,5-triazinane-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloro-4-fluorophenyl)-5-ethyl-1,3,5-triazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-4-fluorophenyl)-5-ethyl-1,3,5-triazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.