![5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-benzyl-4H-1,2,4-triazole-3-thiol structure](/static/products/1167/116710-53-3.webp)
5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-benzyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-benzyl-4H-1,2,4-triazole-3-thiol (CAS 116710-53-3) is a chemical compound with molecular formula C17H14N4S3 and molecular weight 370.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-benzyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-benzyl-4H-1,2,4-triazole-3-thiol, 5-(Benzothiazol-2-ylsulfanylmethyl)-4-benzyl-4H-[1,2,4]triazole-3-thiol, 5-((Benzo[d]thiazol-2-ylthio)methyl)-4-benzyl-4h-1,2,4-triazole-3-thiol, 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-benzyl-1H-1,2,4-triazole-5-thione, 5-(benzothiazol-2-ylthiomethyl)-4-benzyl-1,2,4-triazole-3-thiol
| Molecular Formula | C17H14N4S3 |
|---|---|
| Molecular Weight | 370.04 g/mol |
| LogP | 4.89099 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.03806 |
| Heavy Atoms | 24 |
| Complexity | 983.93634 |
Chemical Identifiers
| CAS Number | 116710-53-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NNC2=S)CSC3=NC4=CC=CC=C4S3 |
Product Overview
5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-benzyl-4H-1,2,4-triazole-3-thiol (CAS 116710-53-3), with molecular formula C17H14N4S3 and molecular weight 370.04 g/mol. IUPAC: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-benzyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-benzyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-benzyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.89099 indicates that 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-benzyl-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-benzyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-benzyl-4H-1,2,4-triazole-3-thiol 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 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-benzyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-benzyl-4H-1,2,4-triazole-3-thiol is 116710-53-3.
What is the molecular formula of 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-benzyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-benzyl-4H-1,2,4-triazole-3-thiol is C17H14N4S3.
What is the molecular weight of 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-benzyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-benzyl-4H-1,2,4-triazole-3-thiol is 370.04 g/mol.
Where can I buy 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-benzyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-benzyl-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-benzyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-benzyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.