3-((4-Methylbenzyl)thio)-1H-1,2,4-triazole
TL;DR: 3-((4-Methylbenzyl)thio)-1H-1,2,4-triazole (CAS 302804-66-6) 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-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole
Also Known As: 3-((4-Methylbenzyl)thio)-1H-1,2,4-triazole, 3-{[(4-methylphenyl)methyl]sulfanyl}-1H-1,2,4-triazole, 3-[(4-Methylbenzyl)thio]-1H-1,2,4-triazole, 4-methylbenzyl 1H-1,2,4-triazol-3-yl sulfide, 1N-538S
| Molecular Formula | C10H11N3S |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.06737 |
| Heavy Atoms | 14 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 302804-66-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC=NN2 |
| InChIKey | HOZZBLHTOQAIBU-UHFFFAOYSA-N |
Product Overview
3-((4-Methylbenzyl)thio)-1H-1,2,4-triazole (CAS 302804-66-6), with molecular formula C10H11N3S and molecular weight 205.07 g/mol. IUPAC: 5-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole.
Chemical Property Profile of 3-((4-Methylbenzyl)thio)-1H-1,2,4-triazole
Property Insights of 3-((4-Methylbenzyl)thio)-1H-1,2,4-triazole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-Methylbenzyl)thio)-1H-1,2,4-triazole. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-Methylbenzyl)thio)-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-((4-Methylbenzyl)thio)-1H-1,2,4-triazole has 1 hydrogen bond donor(s) and 3 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 3-((4-Methylbenzyl)thio)-1H-1,2,4-triazole?
The CAS number of 3-((4-Methylbenzyl)thio)-1H-1,2,4-triazole is 302804-66-6.
What is the molecular formula of 3-((4-Methylbenzyl)thio)-1H-1,2,4-triazole?
The molecular formula of 3-((4-Methylbenzyl)thio)-1H-1,2,4-triazole is C10H11N3S.
What is the molecular weight of 3-((4-Methylbenzyl)thio)-1H-1,2,4-triazole?
The molecular weight of 3-((4-Methylbenzyl)thio)-1H-1,2,4-triazole is 205.07 g/mol.
Where can I buy 3-((4-Methylbenzyl)thio)-1H-1,2,4-triazole?
You can request a quote for 3-((4-Methylbenzyl)thio)-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-Methylbenzyl)thio)-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Methylbenzyl)thio)-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.