![5-(benzylsulfanyl)-3-[(thiophen-2-yl)methyl]-1H-1,2,4-triazole structure](/static/products/467/467436-16-4.png)
5-(benzylsulfanyl)-3-[(thiophen-2-yl)methyl]-1H-1,2,4-triazole
TL;DR: 5-(benzylsulfanyl)-3-[(thiophen-2-yl)methyl]-1H-1,2,4-triazole (CAS 467436-16-4) 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-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
Also Known As: 3-benzylsulfanyl-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole, 5-(benzylsulfanyl)-3-[(thiophen-2-yl)methyl]-1H-1,2,4-triazole
| Molecular Formula | C14H13N3S2 |
|---|---|
| Molecular Weight | 287.06 g/mol |
| LogP | 3.7493 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.05508 |
| Heavy Atoms | 19 |
| Complexity | 617.2056 |
Chemical Identifiers
| CAS Number | 467436-16-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NNC(=N2)CC3=CC=CS3 |
Product Overview
5-(benzylsulfanyl)-3-[(thiophen-2-yl)methyl]-1H-1,2,4-triazole (CAS 467436-16-4), with molecular formula C14H13N3S2 and molecular weight 287.06 g/mol. IUPAC: 3-benzylsulfanyl-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole.
Chemical Property Profile of 5-(benzylsulfanyl)-3-[(thiophen-2-yl)methyl]-1H-1,2,4-triazole
Property Insights of 5-(benzylsulfanyl)-3-[(thiophen-2-yl)methyl]-1H-1,2,4-triazole
The XLogP value of 3.7493 indicates that 5-(benzylsulfanyl)-3-[(thiophen-2-yl)methyl]-1H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, 5-(benzylsulfanyl)-3-[(thiophen-2-yl)methyl]-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(benzylsulfanyl)-3-[(thiophen-2-yl)methyl]-1H-1,2,4-triazole has 1 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 5-(benzylsulfanyl)-3-[(thiophen-2-yl)methyl]-1H-1,2,4-triazole?
The CAS number of 5-(benzylsulfanyl)-3-[(thiophen-2-yl)methyl]-1H-1,2,4-triazole is 467436-16-4.
What is the molecular formula of 5-(benzylsulfanyl)-3-[(thiophen-2-yl)methyl]-1H-1,2,4-triazole?
The molecular formula of 5-(benzylsulfanyl)-3-[(thiophen-2-yl)methyl]-1H-1,2,4-triazole is C14H13N3S2.
What is the molecular weight of 5-(benzylsulfanyl)-3-[(thiophen-2-yl)methyl]-1H-1,2,4-triazole?
The molecular weight of 5-(benzylsulfanyl)-3-[(thiophen-2-yl)methyl]-1H-1,2,4-triazole is 287.06 g/mol.
Where can I buy 5-(benzylsulfanyl)-3-[(thiophen-2-yl)methyl]-1H-1,2,4-triazole?
You can request a quote for 5-(benzylsulfanyl)-3-[(thiophen-2-yl)methyl]-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 5-(benzylsulfanyl)-3-[(thiophen-2-yl)methyl]-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(benzylsulfanyl)-3-[(thiophen-2-yl)methyl]-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.