![5-[3-(benzyloxy)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide structure](/static/products/3390/339022-49-0.webp)
5-[3-(benzyloxy)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide
TL;DR: 5-[3-(benzyloxy)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide (CAS 339022-49-0) is a chemical compound with molecular formula C13H11N3OS2 and molecular weight 289.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-phenylmethoxythiophen-2-yl)-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 5-[3-(benzyloxy)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide, 8D-040, 5-(3-phenylmethoxythiophen-2-yl)-1,2-dihydro-1,2,4-triazole-3-thione, 5-[3-(benzyloxy)thiophen-2-yl]-4H-1,2,4-triazole-3-thiol, 5-(3-(Benzyloxy)thiophen-2-yl)-1,2-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C13H11N3OS2 |
|---|---|
| Molecular Weight | 289.03 g/mol |
| LogP | 3.77479 |
| Topological Polar Surface Area | 53.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.03436 |
| Heavy Atoms | 19 |
| Complexity | 714.5809 |
Chemical Identifiers
| CAS Number | 339022-49-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=C(SC=C2)C3=NC(=S)NN3 |
Product Overview
5-[3-(benzyloxy)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide (CAS 339022-49-0), with molecular formula C13H11N3OS2 and molecular weight 289.03 g/mol. IUPAC: 5-(3-phenylmethoxythiophen-2-yl)-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 5-[3-(benzyloxy)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide
Property Insights of 5-[3-(benzyloxy)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide
The XLogP value of 3.77479 indicates that 5-[3-(benzyloxy)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.7 Ų, 5-[3-(benzyloxy)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[3-(benzyloxy)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide has 2 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-[3-(benzyloxy)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide?
The CAS number of 5-[3-(benzyloxy)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide is 339022-49-0.
What is the molecular formula of 5-[3-(benzyloxy)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide?
The molecular formula of 5-[3-(benzyloxy)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide is C13H11N3OS2.
What is the molecular weight of 5-[3-(benzyloxy)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide?
The molecular weight of 5-[3-(benzyloxy)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide is 289.03 g/mol.
Where can I buy 5-[3-(benzyloxy)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide?
You can request a quote for 5-[3-(benzyloxy)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[3-(benzyloxy)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 5-[3-(benzyloxy)-2-thienyl]-4H-1,2,4-triazol-3-ylhydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.