3-(isopropylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine
TL;DR: 3-(isopropylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine (CAS 860609-07-0) is a chemical compound with molecular formula C11H14N4S and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-4-amine
Also Known As: 10G-399S, 3-(isopropylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine, 3-phenyl-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-4-amine, 3-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-4-amine, 3-[(1-Methylethyl)thio]-5-phenyl-4H-1,2,4-triazol-4-amine
| Molecular Formula | C11H14N4S |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 2.1594 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.09392 |
| Heavy Atoms | 16 |
| Complexity | 464.09174 |
Chemical Identifiers
| CAS Number | 860609-07-0 |
|---|---|
| SMILES | CC(C)SC1=NN=C(N1N)C2=CC=CC=C2 |
Product Overview
3-(isopropylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine (CAS 860609-07-0), with molecular formula C11H14N4S and molecular weight 234.09 g/mol. IUPAC: 3-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-(isopropylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine
Property Insights of 3-(isopropylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine
The XLogP value of 2.1594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(isopropylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine. With a topological polar surface area (TPSA) of 56.73 Ų, 3-(isopropylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(isopropylsulfanyl)-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-(isopropylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine?
The CAS number of 3-(isopropylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine is 860609-07-0.
What is the molecular formula of 3-(isopropylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-(isopropylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine is C11H14N4S.
What is the molecular weight of 3-(isopropylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-(isopropylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine is 234.09 g/mol.
Where can I buy 3-(isopropylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-(isopropylsulfanyl)-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-(isopropylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(isopropylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.