![5-((1H-benzo[d]imidazol-1-yl)methyl)-4-amino-4H-1,2,4-triazole-3-thiol structure](/static/products/7918/791806-33-2.webp)
5-((1H-benzo[d]imidazol-1-yl)methyl)-4-amino-4H-1,2,4-triazole-3-thiol
TL;DR: 5-((1H-benzo[d]imidazol-1-yl)methyl)-4-amino-4H-1,2,4-triazole-3-thiol (CAS 791806-33-2) is a chemical compound with molecular formula C10H10N6S and molecular weight 246.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-(benzimidazol-1-ylmethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-((1H-benzo[d]imidazol-1-yl)methyl)-4-amino-4H-1,2,4-triazole-3-thiol, 4-amino-5-(1H-benzimidazol-1-ylmethyl)-4H-1,2,4-triazole-3-thiol, 2390AC, 4-amino-3-(benzimidazol-1-ylmethyl)-1H-1,2,4-triazole-5-thione, AO-365/43113423
| Molecular Formula | C10H10N6S |
|---|---|
| Molecular Weight | 246.07 g/mol |
| LogP | 1.05249 |
| Topological Polar Surface Area | 77.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.06877 |
| Heavy Atoms | 17 |
| Complexity | 721.55365 |
Chemical Identifiers
| CAS Number | 791806-33-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CN2CC3=NNC(=S)N3N |
Product Overview
5-((1H-benzo[d]imidazol-1-yl)methyl)-4-amino-4H-1,2,4-triazole-3-thiol (CAS 791806-33-2), with molecular formula C10H10N6S and molecular weight 246.07 g/mol. IUPAC: 4-amino-3-(benzimidazol-1-ylmethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-((1H-benzo[d]imidazol-1-yl)methyl)-4-amino-4H-1,2,4-triazole-3-thiol
Property Insights of 5-((1H-benzo[d]imidazol-1-yl)methyl)-4-amino-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.05249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((1H-benzo[d]imidazol-1-yl)methyl)-4-amino-4H-1,2,4-triazole-3-thiol. The TPSA of 77.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((1H-benzo[d]imidazol-1-yl)methyl)-4-amino-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-((1H-benzo[d]imidazol-1-yl)methyl)-4-amino-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-((1H-benzo[d]imidazol-1-yl)methyl)-4-amino-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-((1H-benzo[d]imidazol-1-yl)methyl)-4-amino-4H-1,2,4-triazole-3-thiol is 791806-33-2.
What is the molecular formula of 5-((1H-benzo[d]imidazol-1-yl)methyl)-4-amino-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-((1H-benzo[d]imidazol-1-yl)methyl)-4-amino-4H-1,2,4-triazole-3-thiol is C10H10N6S.
What is the molecular weight of 5-((1H-benzo[d]imidazol-1-yl)methyl)-4-amino-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-((1H-benzo[d]imidazol-1-yl)methyl)-4-amino-4H-1,2,4-triazole-3-thiol is 246.07 g/mol.
Where can I buy 5-((1H-benzo[d]imidazol-1-yl)methyl)-4-amino-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-((1H-benzo[d]imidazol-1-yl)methyl)-4-amino-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-((1H-benzo[d]imidazol-1-yl)methyl)-4-amino-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-((1H-benzo[d]imidazol-1-yl)methyl)-4-amino-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.