3-(benzylsulfanylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione
TL;DR: 3-(benzylsulfanylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione (CAS 590359-23-2) is a chemical compound with molecular formula C16H14BrN3S2 and molecular weight 390.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylsulfanylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 3-(benzylsulfanylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione, 4-(4-bromophenyl)-5-[(phenylmethylthio)methyl]-1,2,4-triazole-3-thiol, 5-(benzylsulfanylmethyl)-4-(4-bromophenyl)-2H-1,2,4-triazole-3-thione, 5-[(benzylsulfanyl)methyl]-4-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C16H14BrN3S2 |
|---|---|
| Molecular Weight | 390.98 g/mol |
| LogP | 5.12579 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.98126 |
| Heavy Atoms | 22 |
| Complexity | 794.2632 |
Chemical Identifiers
| CAS Number | 590359-23-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC2=NNC(=S)N2C3=CC=C(C=C3)Br |
Product Overview
3-(benzylsulfanylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione (CAS 590359-23-2), with molecular formula C16H14BrN3S2 and molecular weight 390.98 g/mol. IUPAC: 3-(benzylsulfanylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(benzylsulfanylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione
Property Insights of 3-(benzylsulfanylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 5.12579 indicates that 3-(benzylsulfanylmethyl)-4-(4-bromophenyl)-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, 3-(benzylsulfanylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(benzylsulfanylmethyl)-4-(4-bromophenyl)-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 3-(benzylsulfanylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(benzylsulfanylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione is 590359-23-2.
What is the molecular formula of 3-(benzylsulfanylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(benzylsulfanylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione is C16H14BrN3S2.
What is the molecular weight of 3-(benzylsulfanylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(benzylsulfanylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione is 390.98 g/mol.
Where can I buy 3-(benzylsulfanylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(benzylsulfanylmethyl)-4-(4-bromophenyl)-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 3-(benzylsulfanylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzylsulfanylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.