4-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione (CAS 438236-72-7) is a chemical compound with molecular formula C21H25N3S2 and molecular weight 383.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione, 4-benzyl-5-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazole-3-thiol, 4-benzyl-5-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole-3-thiol, 5-[6-(tert-butyl)(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)]-4-benzyl-1,2,4-tri azole-3-thiol
| Molecular Formula | C21H25N3S2 |
|---|---|
| Molecular Weight | 383.15 g/mol |
| LogP | 5.86849 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.149 |
| Heavy Atoms | 26 |
| Complexity | 957.3004 |
Chemical Identifiers
| CAS Number | 438236-72-7 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC=C2C3=NNC(=S)N3CC4=CC=CC=C4 |
Product Overview
4-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione (CAS 438236-72-7), with molecular formula C21H25N3S2 and molecular weight 383.15 g/mol. IUPAC: 4-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione
The XLogP value of 5.86849 indicates that 4-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-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 33.61 Ų, 4-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-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-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione is 438236-72-7.
What is the molecular formula of 4-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione is C21H25N3S2.
What is the molecular weight of 4-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione is 383.15 g/mol.
Where can I buy 4-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-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-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.