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5-[(3,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine
TL;DR: 5-[(3,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine (CAS 338391-99-4) is a chemical compound with molecular formula C9H8Cl2N4S and molecular weight 273.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine
Also Known As: Bionet2_001052, 5-[(3,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine, 3-[(3,4-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine, 5-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-amine, AI-204/31688047
| Molecular Formula | C9H8Cl2N4S |
|---|---|
| Molecular Weight | 273.98 g/mol |
| LogP | 2.986 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.98468 |
| Heavy Atoms | 16 |
| Complexity | 500.00424 |
Chemical Identifiers
| CAS Number | 338391-99-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1CSC2=NNC(=N2)N)Cl)Cl |
Product Overview
5-[(3,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine (CAS 338391-99-4), with molecular formula C9H8Cl2N4S and molecular weight 273.98 g/mol. IUPAC: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of 5-[(3,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine
Property Insights of 5-[(3,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine
The XLogP value of 2.986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(3,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine. The TPSA of 67.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(3,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine. Following Lipinski's Rule of Five, 5-[(3,4-dichlorobenzyl)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-[(3,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine?
The CAS number of 5-[(3,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine is 338391-99-4.
What is the molecular formula of 5-[(3,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine?
The molecular formula of 5-[(3,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine is C9H8Cl2N4S.
What is the molecular weight of 5-[(3,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine?
The molecular weight of 5-[(3,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine is 273.98 g/mol.
Where can I buy 5-[(3,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine?
You can request a quote for 5-[(3,4-dichlorobenzyl)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-[(3,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-[(3,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.