![3-(2,4-dichlorophenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine structure](/static/products/5855/585563-45-7.webp)
3-(2,4-dichlorophenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine
TL;DR: 3-(2,4-dichlorophenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine (CAS 585563-45-7) is a chemical compound with molecular formula C12H12Cl2N4S and molecular weight 314.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dichlorophenyl)-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-amine
Also Known As: 3-(2,4-dichlorophenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine, 3-(2,4-dichlorophenyl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine, 3-(2,4-dichlorophenyl)-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-amine, 3-(2,4-dichlorophenyl)-5-(2-methylprop-2-enylthio)-1,2,4-triazole-4-ylamine
| Molecular Formula | C12H12Cl2N4S |
|---|---|
| Molecular Weight | 314.02 g/mol |
| LogP | 3.6339 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.01596 |
| Heavy Atoms | 19 |
| Complexity | 624.1871 |
Chemical Identifiers
| CAS Number | 585563-45-7 |
|---|---|
| SMILES | CC(=C)CSC1=NN=C(N1N)C2=C(C=C(C=C2)Cl)Cl |
Product Overview
3-(2,4-dichlorophenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine (CAS 585563-45-7), with molecular formula C12H12Cl2N4S and molecular weight 314.02 g/mol. IUPAC: 3-(2,4-dichlorophenyl)-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-(2,4-dichlorophenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine
Property Insights of 3-(2,4-dichlorophenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine
The XLogP value of 3.6339 indicates that 3-(2,4-dichlorophenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.73 Ų, 3-(2,4-dichlorophenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,4-dichlorophenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine has 1 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 3-(2,4-dichlorophenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine?
The CAS number of 3-(2,4-dichlorophenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine is 585563-45-7.
What is the molecular formula of 3-(2,4-dichlorophenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-(2,4-dichlorophenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine is C12H12Cl2N4S.
What is the molecular weight of 3-(2,4-dichlorophenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-(2,4-dichlorophenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine is 314.02 g/mol.
Where can I buy 3-(2,4-dichlorophenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-(2,4-dichlorophenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4-dichlorophenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-dichlorophenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.