2,4-Dihydro-5-phenyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione
TL;DR: 2,4-Dihydro-5-phenyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione (CAS 438229-79-9) is a chemical compound with molecular formula C11H11N3S and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-allyl-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-Allyl-5-phenyl-4H-[1,2,4]triazole-3-thiol, ChemDiv3_001189, 3-phenyl-4-prop-2-enyl-1H-1,2,4-triazole-5-thione, 5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C11H11N3S |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.06737 |
| Heavy Atoms | 15 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 438229-79-9 |
|---|---|
| SMILES | C=CCN1C(=NNC1=S)C2=CC=CC=C2 |
| InChIKey | ZLSZMYUZPQLFCY-UHFFFAOYSA-N |
Product Overview
2,4-Dihydro-5-phenyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione (CAS 438229-79-9), with molecular formula C11H11N3S and molecular weight 217.07 g/mol. IUPAC: 3-phenyl-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 2,4-Dihydro-5-phenyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione
Property Insights of 2,4-Dihydro-5-phenyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dihydro-5-phenyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione. With a topological polar surface area (TPSA) of 59.7 Ų, 2,4-Dihydro-5-phenyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dihydro-5-phenyl-4-(2-propen-1-yl)-3H-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 2,4-Dihydro-5-phenyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione?
The CAS number of 2,4-Dihydro-5-phenyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione is 438229-79-9.
What is the molecular formula of 2,4-Dihydro-5-phenyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione?
The molecular formula of 2,4-Dihydro-5-phenyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione is C11H11N3S.
What is the molecular weight of 2,4-Dihydro-5-phenyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione?
The molecular weight of 2,4-Dihydro-5-phenyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione is 217.07 g/mol.
Where can I buy 2,4-Dihydro-5-phenyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione?
You can request a quote for 2,4-Dihydro-5-phenyl-4-(2-propen-1-yl)-3H-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 2,4-Dihydro-5-phenyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dihydro-5-phenyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.