4-(2,3-Dimethylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 4-(2,3-Dimethylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 384847-90-9) 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.
4-(2,3-dimethylphenyl)-3-methyl-1H-1,2,4-triazole-5-thione
Also Known As: Salor-int l443778-1ea, 4-(2,3-dimethylphenyl)-3-methyl-1H-1,2,4-triazole-5-thione, 4-(2,3-dimethylphenyl)-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide, 4-(2,3-dimethylphenyl)-5-methyl-4H-1,2,4-triazole-3-thiol, 4-(2,3-Dimethylphenyl)-3-methyl-1H-1,2,4-triazole-5(4H)-thione
| Molecular Formula | C11H13N3S |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | 2.85515 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.08302 |
| Heavy Atoms | 15 |
| Complexity | 551.2009 |
Chemical Identifiers
| CAS Number | 384847-90-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C(=NNC2=S)C)C |
Product Overview
4-(2,3-Dimethylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 384847-90-9), with molecular formula C11H13N3S and molecular weight 219.08 g/mol. IUPAC: 4-(2,3-dimethylphenyl)-3-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2,3-Dimethylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 4-(2,3-Dimethylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 2.85515 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,3-Dimethylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione. With a topological polar surface area (TPSA) of 33.61 Ų, 4-(2,3-Dimethylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,3-Dimethylphenyl)-5-methyl-2,4-dihydro-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 4-(2,3-Dimethylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 4-(2,3-Dimethylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 384847-90-9.
What is the molecular formula of 4-(2,3-Dimethylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 4-(2,3-Dimethylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is C11H13N3S.
What is the molecular weight of 4-(2,3-Dimethylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 4-(2,3-Dimethylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 219.08 g/mol.
Where can I buy 4-(2,3-Dimethylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 4-(2,3-Dimethylphenyl)-5-methyl-2,4-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 4-(2,3-Dimethylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3-Dimethylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.