![4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide structure](/static/products/6650/665013-76-3.webp)
4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide
TL;DR: 4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide (CAS 665013-76-3) is a chemical compound with molecular formula C9H9BrN4S and molecular weight 283.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-bromophenyl)methylamino]-1H-1,2,4-triazole-5-thione
Also Known As: NDM-1 inhibitor-2, starbld0005820, 4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide, 4-[(3-bromophenyl)methylamino]-1H-1,2,4-triazole-5-thione, AN-465/41521276
| Molecular Formula | C9H9BrN4S |
|---|---|
| Molecular Weight | 283.97 g/mol |
| LogP | 2.44689 |
| Topological Polar Surface Area | 45.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.97314 |
| Heavy Atoms | 15 |
| Complexity | 504.5635 |
Chemical Identifiers
| CAS Number | 665013-76-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)CNN2C=NNC2=S |
Product Overview
4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide (CAS 665013-76-3), with molecular formula C9H9BrN4S and molecular weight 283.97 g/mol. IUPAC: 4-[(3-bromophenyl)methylamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide
Property Insights of 4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide
The XLogP value of 2.44689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide. With a topological polar surface area (TPSA) of 45.64 Ų, 4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide 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 4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide?
The CAS number of 4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide is 665013-76-3.
What is the molecular formula of 4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide?
The molecular formula of 4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide is C9H9BrN4S.
What is the molecular weight of 4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide?
The molecular weight of 4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide is 283.97 g/mol.
Where can I buy 4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide?
You can request a quote for 4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.