3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine
TL;DR: 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine (CAS 98307-63-2) is a chemical compound with molecular formula C15H14N4S and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-amine
Also Known As: 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine, 3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-amine, 10G-404S, 3-(Benzylthio)-5-phenyl-4H-1,2,4-triazol-4-amine, 5-phenyl-3-(phenylmethylthio)-1,2,4-triazole-4-ylamine
| Molecular Formula | C15H14N4S |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.0939 |
| Heavy Atoms | 20 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 98307-63-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=CC=C3 |
| InChIKey | NFRHVINEGSCHNY-UHFFFAOYSA-N |
Product Overview
3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine (CAS 98307-63-2), with molecular formula C15H14N4S and molecular weight 282.09 g/mol. IUPAC: 3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine
Property Insights of 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine
The XLogP value of 3.2 indicates that 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-(benzylsulfanyl)-5-phenyl-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-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine?
The CAS number of 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine is 98307-63-2.
What is the molecular formula of 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine is C15H14N4S.
What is the molecular weight of 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine is 282.09 g/mol.
Where can I buy 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-(benzylsulfanyl)-5-phenyl-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-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.