![2-Phenyl-1,2,4-triazaspiro[4.4]nonane-3-thione structure](/static/products/3926/39263-80-4.webp)
2-Phenyl-1,2,4-triazaspiro[4.4]nonane-3-thione
TL;DR: 2-Phenyl-1,2,4-triazaspiro[4.4]nonane-3-thione (CAS 39263-80-4) is a chemical compound with molecular formula C12H15N3S and molecular weight 233.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-1,2,4-triazaspiro[4.4]nonane-3-thione
Also Known As: Maybridge4_000468, 2-phenyl-1,2,4-triazaspiro[4.4]nonane-3-thione, 1,2,4-Triazaspiro[4.4]nonane-3-thione, 2-phenyl-, IDI1_031050, AB00084198-01
| Molecular Formula | C12H15N3S |
|---|---|
| Molecular Weight | 233.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.09866 |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 39263-80-4 |
|---|---|
| SMILES | C1CCC2(C1)NC(=S)N(N2)C3=CC=CC=C3 |
| InChIKey | YOVKZKLGVGKTHH-UHFFFAOYSA-N |
Product Overview
2-Phenyl-1,2,4-triazaspiro[4.4]nonane-3-thione (CAS 39263-80-4), with molecular formula C12H15N3S and molecular weight 233.10 g/mol. IUPAC: 2-phenyl-1,2,4-triazaspiro[4.4]nonane-3-thione.
Chemical Property Profile of 2-Phenyl-1,2,4-triazaspiro[4.4]nonane-3-thione
Property Insights of 2-Phenyl-1,2,4-triazaspiro[4.4]nonane-3-thione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-1,2,4-triazaspiro[4.4]nonane-3-thione. With a topological polar surface area (TPSA) of 59.4 Ų, 2-Phenyl-1,2,4-triazaspiro[4.4]nonane-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-1,2,4-triazaspiro[4.4]nonane-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-Phenyl-1,2,4-triazaspiro[4.4]nonane-3-thione?
The CAS number of 2-Phenyl-1,2,4-triazaspiro[4.4]nonane-3-thione is 39263-80-4.
What is the molecular formula of 2-Phenyl-1,2,4-triazaspiro[4.4]nonane-3-thione?
The molecular formula of 2-Phenyl-1,2,4-triazaspiro[4.4]nonane-3-thione is C12H15N3S.
What is the molecular weight of 2-Phenyl-1,2,4-triazaspiro[4.4]nonane-3-thione?
The molecular weight of 2-Phenyl-1,2,4-triazaspiro[4.4]nonane-3-thione is 233.10 g/mol.
Where can I buy 2-Phenyl-1,2,4-triazaspiro[4.4]nonane-3-thione?
You can request a quote for 2-Phenyl-1,2,4-triazaspiro[4.4]nonane-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-Phenyl-1,2,4-triazaspiro[4.4]nonane-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-1,2,4-triazaspiro[4.4]nonane-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.