2-methylbenzyl 3-methyl-1H-1,2,4-triazol-5-yl sulfide
TL;DR: 2-methylbenzyl 3-methyl-1H-1,2,4-triazol-5-yl sulfide (CAS 526188-10-3) 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.
5-methyl-3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole
Also Known As: SDCCGSBI-0660991.P001, 2-methylbenzyl 3-methyl-1H-1,2,4-triazol-5-yl sulfide, 3-methyl-5-[(2-methylbenzyl)thio]-1H-1,2,4-triazole, AP-906/42551070, 5-methyl-3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole
| Molecular Formula | C11H13N3S |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08302 |
| Heavy Atoms | 15 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 526188-10-3 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC2=NNC(=N2)C |
| InChIKey | YAOCRADDOOURQR-UHFFFAOYSA-N |
Product Overview
2-methylbenzyl 3-methyl-1H-1,2,4-triazol-5-yl sulfide (CAS 526188-10-3), with molecular formula C11H13N3S and molecular weight 219.08 g/mol. IUPAC: 5-methyl-3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole.
Chemical Property Profile of 2-methylbenzyl 3-methyl-1H-1,2,4-triazol-5-yl sulfide
Property Insights of 2-methylbenzyl 3-methyl-1H-1,2,4-triazol-5-yl sulfide
The XLogP value of 3.1 indicates that 2-methylbenzyl 3-methyl-1H-1,2,4-triazol-5-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methylbenzyl 3-methyl-1H-1,2,4-triazol-5-yl sulfide. Following Lipinski's Rule of Five, 2-methylbenzyl 3-methyl-1H-1,2,4-triazol-5-yl sulfide 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 2-methylbenzyl 3-methyl-1H-1,2,4-triazol-5-yl sulfide?
The CAS number of 2-methylbenzyl 3-methyl-1H-1,2,4-triazol-5-yl sulfide is 526188-10-3.
What is the molecular formula of 2-methylbenzyl 3-methyl-1H-1,2,4-triazol-5-yl sulfide?
The molecular formula of 2-methylbenzyl 3-methyl-1H-1,2,4-triazol-5-yl sulfide is C11H13N3S.
What is the molecular weight of 2-methylbenzyl 3-methyl-1H-1,2,4-triazol-5-yl sulfide?
The molecular weight of 2-methylbenzyl 3-methyl-1H-1,2,4-triazol-5-yl sulfide is 219.08 g/mol.
Where can I buy 2-methylbenzyl 3-methyl-1H-1,2,4-triazol-5-yl sulfide?
You can request a quote for 2-methylbenzyl 3-methyl-1H-1,2,4-triazol-5-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methylbenzyl 3-methyl-1H-1,2,4-triazol-5-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-methylbenzyl 3-methyl-1H-1,2,4-triazol-5-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.