5,5-dimethyl-4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5,5-dimethyl-4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3-thione (CAS 25687-97-2) is a chemical compound with molecular formula C10H11N3S and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-4-phenyl-1,2,4-triazole-3-thione
Also Known As: 5,5-dimethyl-4-phenyl-1,2,4-triazole-3-thione, 5,5-dimethyl-4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3-thione, 5,5-dimethyl-4-phenyl-4H-[1,2,4]triazole-3-thione, 3H-1,2,4-Triazole-3-thione, 4,5-dihydro-5,5-dimethyl-4-phenyl-, 3H-1,2,4-Triazole-3-thione,4,5-dihydro-5,5-dimethyl-4-phenyl
| Molecular Formula | C10H11N3S |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 2.9798 |
| Topological Polar Surface Area | 27.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.06737 |
| Heavy Atoms | 14 |
| Complexity | 383.6134 |
Chemical Identifiers
| CAS Number | 25687-97-2 |
|---|---|
| SMILES | CC1(N=NC(=S)N1C2=CC=CC=C2)C |
Product Overview
5,5-dimethyl-4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3-thione (CAS 25687-97-2), with molecular formula C10H11N3S and molecular weight 205.07 g/mol. IUPAC: 5,5-dimethyl-4-phenyl-1,2,4-triazole-3-thione.
Chemical Property Profile of 5,5-dimethyl-4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5,5-dimethyl-4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 2.9798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-dimethyl-4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3-thione. With a topological polar surface area (TPSA) of 27.96 Ų, 5,5-dimethyl-4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-dimethyl-4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3-thione has 0 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 5,5-dimethyl-4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5,5-dimethyl-4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3-thione is 25687-97-2.
What is the molecular formula of 5,5-dimethyl-4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5,5-dimethyl-4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3-thione is C10H11N3S.
What is the molecular weight of 5,5-dimethyl-4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5,5-dimethyl-4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3-thione is 205.07 g/mol.
Where can I buy 5,5-dimethyl-4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5,5-dimethyl-4-phenyl-4,5-dihydro-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 5,5-dimethyl-4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5,5-dimethyl-4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.