![3-[(3,4-Dichlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine structure](/static/products/6913/691397-82-7.webp)
3-[(3,4-Dichlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine
TL;DR: 3-[(3,4-Dichlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine (CAS 691397-82-7) is a chemical compound with molecular formula C12H14Cl2N4S and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dichlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine
Also Known As: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine, 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-propyl-4H-1,2,4-triazol-4-amine, 5-[(3,4-dichlorophenyl)methylthio]-3-propyl-1,2,4-triazole-4-ylamine, 3-((3,4-dichlorobenzyl)thio)-5-propyl-4H-1,2,4-triazol-4-amine, C12H14Cl2N4S
| Molecular Formula | C12H14Cl2N4S |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 3.5435 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.03162 |
| Heavy Atoms | 19 |
| Complexity | 570.8522 |
Chemical Identifiers
| CAS Number | 691397-82-7 |
|---|---|
| SMILES | CCCC1=NN=C(N1N)SCC2=CC(=C(C=C2)Cl)Cl |
Product Overview
3-[(3,4-Dichlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine (CAS 691397-82-7), with molecular formula C12H14Cl2N4S and molecular weight 316.03 g/mol. IUPAC: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-[(3,4-Dichlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine
Property Insights of 3-[(3,4-Dichlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine
The XLogP value of 3.5435 indicates that 3-[(3,4-Dichlorophenyl)methylsulfanyl]-5-propyl-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-[(3,4-Dichlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3,4-Dichlorophenyl)methylsulfanyl]-5-propyl-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-[(3,4-Dichlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine?
The CAS number of 3-[(3,4-Dichlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine is 691397-82-7.
What is the molecular formula of 3-[(3,4-Dichlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine?
The molecular formula of 3-[(3,4-Dichlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine is C12H14Cl2N4S.
What is the molecular weight of 3-[(3,4-Dichlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine?
The molecular weight of 3-[(3,4-Dichlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine is 316.03 g/mol.
Where can I buy 3-[(3,4-Dichlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine?
You can request a quote for 3-[(3,4-Dichlorophenyl)methylsulfanyl]-5-propyl-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-[(3,4-Dichlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,4-Dichlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.