![2-(2-Fluorophenyl)-1,2,4-triazaspiro[4.5]decane-3-thione structure](/static/products/6972/697234-05-2.webp)
2-(2-Fluorophenyl)-1,2,4-triazaspiro[4.5]decane-3-thione
TL;DR: 2-(2-Fluorophenyl)-1,2,4-triazaspiro[4.5]decane-3-thione (CAS 697234-05-2) is a chemical compound with molecular formula C13H16FN3S and molecular weight 265.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-fluorophenyl)-1,2,4-triazaspiro[4.5]decane-3-thione
Also Known As: 2-(2-fluorophenyl)-1,2,4-triazaspiro[4.5]decane-3-thione, AB01330069-02, 3-(2-fluorophenyl)-1,3,4-triazaspiro[4.5]decane-2-thione, A3626/0153796, 1,2,4-Triazaspiro[4.5]decane-3-thione, 2-(2-fluorophenyl)-
| Molecular Formula | C13H16FN3S |
|---|---|
| Molecular Weight | 265.10 g/mol |
| LogP | 2.6852 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.1049 |
| Heavy Atoms | 18 |
| Complexity | 471.05908 |
Chemical Identifiers
| CAS Number | 697234-05-2 |
|---|---|
| SMILES | C1CCC2(CC1)NC(=S)N(N2)C3=CC=CC=C3F |
Product Overview
2-(2-Fluorophenyl)-1,2,4-triazaspiro[4.5]decane-3-thione (CAS 697234-05-2), with molecular formula C13H16FN3S and molecular weight 265.10 g/mol. IUPAC: 2-(2-fluorophenyl)-1,2,4-triazaspiro[4.5]decane-3-thione.
Chemical Property Profile of 2-(2-Fluorophenyl)-1,2,4-triazaspiro[4.5]decane-3-thione
Property Insights of 2-(2-Fluorophenyl)-1,2,4-triazaspiro[4.5]decane-3-thione
The XLogP value of 2.6852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Fluorophenyl)-1,2,4-triazaspiro[4.5]decane-3-thione. With a topological polar surface area (TPSA) of 27.3 Ų, 2-(2-Fluorophenyl)-1,2,4-triazaspiro[4.5]decane-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Fluorophenyl)-1,2,4-triazaspiro[4.5]decane-3-thione 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 2-(2-Fluorophenyl)-1,2,4-triazaspiro[4.5]decane-3-thione?
The CAS number of 2-(2-Fluorophenyl)-1,2,4-triazaspiro[4.5]decane-3-thione is 697234-05-2.
What is the molecular formula of 2-(2-Fluorophenyl)-1,2,4-triazaspiro[4.5]decane-3-thione?
The molecular formula of 2-(2-Fluorophenyl)-1,2,4-triazaspiro[4.5]decane-3-thione is C13H16FN3S.
What is the molecular weight of 2-(2-Fluorophenyl)-1,2,4-triazaspiro[4.5]decane-3-thione?
The molecular weight of 2-(2-Fluorophenyl)-1,2,4-triazaspiro[4.5]decane-3-thione is 265.10 g/mol.
Where can I buy 2-(2-Fluorophenyl)-1,2,4-triazaspiro[4.5]decane-3-thione?
You can request a quote for 2-(2-Fluorophenyl)-1,2,4-triazaspiro[4.5]decane-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Fluorophenyl)-1,2,4-triazaspiro[4.5]decane-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Fluorophenyl)-1,2,4-triazaspiro[4.5]decane-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.