5-(Bis(ethylthio)methyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione
TL;DR: 5-(Bis(ethylthio)methyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione (CAS 338394-34-6) is a chemical compound with molecular formula C13H17N3S3 and molecular weight 311.05847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[bis(ethylsulfanyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[bis(ethylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide, 2C-043, 3-[bis(ethylsulfanyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione, 5-[Bis(ethylthio)methyl]-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione, 5-[bis(ethylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
Technical Specifications
| Molecular Formula | C13H17N3S3 |
| Molecular Weight | 311.05847 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.05847 Da |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
| SMILES | CCSC(C1=NNC(=S)N1C2=CC=CC=C2)SCC |
| InChIKey | MFJBCFQSDXLAFB-UHFFFAOYSA-N |
Chemical Property Profile of 5-(Bis(ethylthio)methyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione
Property Insights of 5-(Bis(ethylthio)methyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione
The XLogP value of 3.7 indicates that 5-(Bis(ethylthio)methyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Bis(ethylthio)methyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 5-(Bis(ethylthio)methyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(Bis(ethylthio)methyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione?
The CAS number of 5-(Bis(ethylthio)methyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione is 338394-34-6.
What is the molecular formula of 5-(Bis(ethylthio)methyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-(Bis(ethylthio)methyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione is C13H17N3S3.
What is the molecular weight of 5-(Bis(ethylthio)methyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-(Bis(ethylthio)methyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione is 311.05847 g/mol.
Where can I buy 5-(Bis(ethylthio)methyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-(Bis(ethylthio)methyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(Bis(ethylthio)methyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione?
Yes, CoreyChem provides custom synthesis services for 5-(Bis(ethylthio)methyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.