5,5'-methylenebis(4-benzyl-4H-1,2,4-triazole-3-thiol)
TL;DR: 5,5'-methylenebis(4-benzyl-4H-1,2,4-triazole-3-thiol) (CAS 62575-53-5) is a chemical compound with molecular formula C19H18N6S2 and molecular weight 394.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-3-[(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 5,5'-methylenebis(4-benzyl-4H-1,2,4-triazole-3-thiol), 4-benzyl-3-[(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-5-thione, 4-benzyl-5-[(4-benzyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-4H-1,2,4-triazole-3-thiol, 4H-1,2,4-triazole-3-thiol, 5,5'-methylenebis[4-(phenylmethyl)-, 5,5'-methanediylbis(4-benzyl-4H-1,2,4-triazole-3-thiol)
| Molecular Formula | C19H18N6S2 |
|---|---|
| Molecular Weight | 394.10 g/mol |
| LogP | 3.88218 |
| Topological Polar Surface Area | 67.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.10342 |
| Heavy Atoms | 27 |
| Complexity | 1046.4191 |
Chemical Identifiers
| CAS Number | 62575-53-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NNC2=S)CC3=NNC(=S)N3CC4=CC=CC=C4 |
Product Overview
5,5'-methylenebis(4-benzyl-4H-1,2,4-triazole-3-thiol) (CAS 62575-53-5), with molecular formula C19H18N6S2 and molecular weight 394.10 g/mol. IUPAC: 4-benzyl-3-[(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5,5'-methylenebis(4-benzyl-4H-1,2,4-triazole-3-thiol)
Property Insights of 5,5'-methylenebis(4-benzyl-4H-1,2,4-triazole-3-thiol)
The XLogP value of 3.88218 indicates that 5,5'-methylenebis(4-benzyl-4H-1,2,4-triazole-3-thiol) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5'-methylenebis(4-benzyl-4H-1,2,4-triazole-3-thiol). Following Lipinski's Rule of Five, 5,5'-methylenebis(4-benzyl-4H-1,2,4-triazole-3-thiol) 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 5,5'-methylenebis(4-benzyl-4H-1,2,4-triazole-3-thiol)?
The CAS number of 5,5'-methylenebis(4-benzyl-4H-1,2,4-triazole-3-thiol) is 62575-53-5.
What is the molecular formula of 5,5'-methylenebis(4-benzyl-4H-1,2,4-triazole-3-thiol)?
The molecular formula of 5,5'-methylenebis(4-benzyl-4H-1,2,4-triazole-3-thiol) is C19H18N6S2.
What is the molecular weight of 5,5'-methylenebis(4-benzyl-4H-1,2,4-triazole-3-thiol)?
The molecular weight of 5,5'-methylenebis(4-benzyl-4H-1,2,4-triazole-3-thiol) is 394.10 g/mol.
Where can I buy 5,5'-methylenebis(4-benzyl-4H-1,2,4-triazole-3-thiol)?
You can request a quote for 5,5'-methylenebis(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 5,5'-methylenebis(4-benzyl-4H-1,2,4-triazole-3-thiol)?
Yes, KEHONG BIO provides custom synthesis services for 5,5'-methylenebis(4-benzyl-4H-1,2,4-triazole-3-thiol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.