4-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
TL;DR: 4-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione (CAS 451501-85-2) is a chemical compound with molecular formula C13H9N3O2S2 and molecular weight 303.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: A3841/0163093, 4-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione, 4-(1,3-benzodioxol-5-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol, 4-(1,3-BENZODIOXOL-5-YL)-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE, 4-(1,3-benzodioxol-5-yl)-5-(thiophen-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C13H9N3O2S2 |
|---|---|
| Molecular Weight | 303.01 g/mol |
| LogP | 3.38709 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.0136 |
| Heavy Atoms | 20 |
| Complexity | 820.5114 |
Chemical Identifiers
| CAS Number | 451501-85-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)C4=CC=CS4 |
Product Overview
4-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione (CAS 451501-85-2), with molecular formula C13H9N3O2S2 and molecular weight 303.01 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
Property Insights of 4-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
The XLogP value of 3.38709 indicates that 4-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.07 Ų, 4-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 5 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 4-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione is 451501-85-2.
What is the molecular formula of 4-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione is C13H9N3O2S2.
What is the molecular weight of 4-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione is 303.01 g/mol.
Where can I buy 4-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.