3-(aminomethyl)-4-benzyl-1H-1,2,4-triazole-5-thione
TL;DR: 3-(aminomethyl)-4-benzyl-1H-1,2,4-triazole-5-thione (CAS 1024058-55-6) is a chemical compound with molecular formula C10H12N4S and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(aminomethyl)-4-benzyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-Aminomethyl-4-benzyl-2,4-dihydro-[1,2,4]triazol-3-thione, 3-(aminomethyl)-4-benzyl-1H-1,2,4-triazole-5-thione, 5-(aminomethyl)-4-benzyl-2H-1,2,4-triazole-3-thione
| Molecular Formula | C10H12N4S |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 1.44769 |
| Topological Polar Surface Area | 59.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.07826 |
| Heavy Atoms | 15 |
| Complexity | 485.62354 |
Chemical Identifiers
| CAS Number | 1024058-55-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NNC2=S)CN |
Product Overview
3-(aminomethyl)-4-benzyl-1H-1,2,4-triazole-5-thione (CAS 1024058-55-6), with molecular formula C10H12N4S and molecular weight 220.08 g/mol. IUPAC: 3-(aminomethyl)-4-benzyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(aminomethyl)-4-benzyl-1H-1,2,4-triazole-5-thione
Property Insights of 3-(aminomethyl)-4-benzyl-1H-1,2,4-triazole-5-thione
The XLogP value of 1.44769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(aminomethyl)-4-benzyl-1H-1,2,4-triazole-5-thione. With a topological polar surface area (TPSA) of 59.63 Ų, 3-(aminomethyl)-4-benzyl-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(aminomethyl)-4-benzyl-1H-1,2,4-triazole-5-thione has 2 hydrogen bond donor(s) and 3 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 3-(aminomethyl)-4-benzyl-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(aminomethyl)-4-benzyl-1H-1,2,4-triazole-5-thione is 1024058-55-6.
What is the molecular formula of 3-(aminomethyl)-4-benzyl-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(aminomethyl)-4-benzyl-1H-1,2,4-triazole-5-thione is C10H12N4S.
What is the molecular weight of 3-(aminomethyl)-4-benzyl-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(aminomethyl)-4-benzyl-1H-1,2,4-triazole-5-thione is 220.08 g/mol.
Where can I buy 3-(aminomethyl)-4-benzyl-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(aminomethyl)-4-benzyl-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-(aminomethyl)-4-benzyl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(aminomethyl)-4-benzyl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.