![2-Phenyl-5-propyl-2,4-dihydro-[1,2,4]triazole-3-thione structure](/static/products/430/43057-57-4.png)
2-Phenyl-5-propyl-2,4-dihydro-[1,2,4]triazole-3-thione
TL;DR: 2-Phenyl-5-propyl-2,4-dihydro-[1,2,4]triazole-3-thione (CAS 43057-57-4) is a chemical compound with molecular formula C11H13N3S and molecular weight 219.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-5-propyl-1H-1,2,4-triazole-3-thione
Also Known As: BAS 07162094, 2-phenyl-5-propyl-1H-1,2,4-triazole-3-thione, 2-phenyl-5-propyl-1,2-dihydro-[1,2,4]triazole-3-thione, 2-Phenyl-5-propyl-2,4-dihydro-[1,2,4]triazole-3-thione, 2-Phenyl-5-propyl-2,4-dihydro-[1,2,4]triazole- 3-thione
| Molecular Formula | C11H13N3S |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | 2.88239 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08302 |
| Heavy Atoms | 15 |
| Complexity | 484.03418 |
Chemical Identifiers
| CAS Number | 43057-57-4 |
|---|---|
| SMILES | CCCC1=NC(=S)N(N1)C2=CC=CC=C2 |
Product Overview
2-Phenyl-5-propyl-2,4-dihydro-[1,2,4]triazole-3-thione (CAS 43057-57-4), with molecular formula C11H13N3S and molecular weight 219.08 g/mol. IUPAC: 2-phenyl-5-propyl-1H-1,2,4-triazole-3-thione.
Chemical Property Profile of 2-Phenyl-5-propyl-2,4-dihydro-[1,2,4]triazole-3-thione
Property Insights of 2-Phenyl-5-propyl-2,4-dihydro-[1,2,4]triazole-3-thione
The XLogP value of 2.88239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-5-propyl-2,4-dihydro-[1,2,4]triazole-3-thione. With a topological polar surface area (TPSA) of 33.61 Ų, 2-Phenyl-5-propyl-2,4-dihydro-[1,2,4]triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-5-propyl-2,4-dihydro-[1,2,4]triazole-3-thione has 1 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-5-propyl-2,4-dihydro-[1,2,4]triazole-3-thione?
The CAS number of 2-Phenyl-5-propyl-2,4-dihydro-[1,2,4]triazole-3-thione is 43057-57-4.
What is the molecular formula of 2-Phenyl-5-propyl-2,4-dihydro-[1,2,4]triazole-3-thione?
The molecular formula of 2-Phenyl-5-propyl-2,4-dihydro-[1,2,4]triazole-3-thione is C11H13N3S.
What is the molecular weight of 2-Phenyl-5-propyl-2,4-dihydro-[1,2,4]triazole-3-thione?
The molecular weight of 2-Phenyl-5-propyl-2,4-dihydro-[1,2,4]triazole-3-thione is 219.08 g/mol.
Where can I buy 2-Phenyl-5-propyl-2,4-dihydro-[1,2,4]triazole-3-thione?
You can request a quote for 2-Phenyl-5-propyl-2,4-dihydro-[1,2,4]triazole-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-5-propyl-2,4-dihydro-[1,2,4]triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-5-propyl-2,4-dihydro-[1,2,4]triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.