3-(benzylsulfanyl)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole
TL;DR: 3-(benzylsulfanyl)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole (CAS 586995-86-0) is a chemical compound with molecular formula C14H13N3S2 and molecular weight 287.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-4-methyl-5-thiophen-2-yl-1,2,4-triazole
Also Known As: 3-(benzylsulfanyl)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole, 3-benzylsulfanyl-4-methyl-5-thiophen-2-yl-1,2,4-triazole, 4-methyl-3-(phenylmethylthio)-5-(2-thienyl)-1,2,4-triazole, 3-(benzylthio)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole
| Molecular Formula | C14H13N3S2 |
|---|---|
| Molecular Weight | 287.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 84.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.05508 |
| Heavy Atoms | 19 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 586995-86-0 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=CS3 |
| InChIKey | ZCDJJCRHQLWCOY-UHFFFAOYSA-N |
Product Overview
3-(benzylsulfanyl)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole (CAS 586995-86-0), with molecular formula C14H13N3S2 and molecular weight 287.06 g/mol. IUPAC: 3-benzylsulfanyl-4-methyl-5-thiophen-2-yl-1,2,4-triazole.
Chemical Property Profile of 3-(benzylsulfanyl)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole
Property Insights of 3-(benzylsulfanyl)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole
The XLogP value of 3.1 indicates that 3-(benzylsulfanyl)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzylsulfanyl)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-(benzylsulfanyl)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 4 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-(benzylsulfanyl)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole?
The CAS number of 3-(benzylsulfanyl)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole is 586995-86-0.
What is the molecular formula of 3-(benzylsulfanyl)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole?
The molecular formula of 3-(benzylsulfanyl)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole is C14H13N3S2.
What is the molecular weight of 3-(benzylsulfanyl)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole?
The molecular weight of 3-(benzylsulfanyl)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole is 287.06 g/mol.
Where can I buy 3-(benzylsulfanyl)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole?
You can request a quote for 3-(benzylsulfanyl)-4-methyl-5-(thiophen-2-yl)-4H-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-(benzylsulfanyl)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzylsulfanyl)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.