![5-[(2,3,5-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine structure](/static/products/880/880451-77-4.png)
5-[(2,3,5-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine
TL;DR: 5-[(2,3,5-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine (CAS 880451-77-4) is a chemical compound with molecular formula C9H7Cl3N4S and molecular weight 307.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,3,5-trichlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine
Also Known As: 5-[(2,3,5-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine, 3-[(2,3,5-trichlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine, AS-871/43475672, 5-((2,3,5-trichlorobenzyl)thio)-4H-1,2,4-triazol-3-amine, 5-{[(2,3,5-TRICHLOROPHENYL)METHYL]SULFANYL}-4H-1,2,4-TRIAZOL-3-AMINE
| Molecular Formula | C9H7Cl3N4S |
|---|---|
| Molecular Weight | 307.95 g/mol |
| LogP | 3.6394 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.9457 |
| Heavy Atoms | 17 |
| Complexity | 543.0324 |
Chemical Identifiers
| CAS Number | 880451-77-4 |
|---|---|
| SMILES | C1=C(C=C(C(=C1CSC2=NNC(=N2)N)Cl)Cl)Cl |
Product Overview
5-[(2,3,5-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine (CAS 880451-77-4), with molecular formula C9H7Cl3N4S and molecular weight 307.95 g/mol. IUPAC: 3-[(2,3,5-trichlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of 5-[(2,3,5-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine
Property Insights of 5-[(2,3,5-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine
The XLogP value of 3.6394 indicates that 5-[(2,3,5-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(2,3,5-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine. Following Lipinski's Rule of Five, 5-[(2,3,5-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine 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-[(2,3,5-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine?
The CAS number of 5-[(2,3,5-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine is 880451-77-4.
What is the molecular formula of 5-[(2,3,5-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine?
The molecular formula of 5-[(2,3,5-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine is C9H7Cl3N4S.
What is the molecular weight of 5-[(2,3,5-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine?
The molecular weight of 5-[(2,3,5-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine is 307.95 g/mol.
Where can I buy 5-[(2,3,5-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine?
You can request a quote for 5-[(2,3,5-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(2,3,5-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2,3,5-trichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.