5-(3-phenoxypropylthio)-4H-1,2,4-triazole-3-ylamine
TL;DR: 5-(3-phenoxypropylthio)-4H-1,2,4-triazole-3-ylamine (CAS 880451-94-5) is a chemical compound with molecular formula C11H14N4OS and molecular weight 250.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazol-5-amine
Also Known As: 3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazol-5-amine, 5-(3-phenoxypropylthio)-4H-1,2,4-triazole-3-ylamine, 5-[(3-phenoxypropyl)sulfanyl]-4H-1,2,4-triazol-3-amine, AS-871/43387369
| Molecular Formula | C11H14N4OS |
|---|---|
| Molecular Weight | 250.09 g/mol |
| LogP | 1.9481 |
| Topological Polar Surface Area | 76.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.08884 |
| Heavy Atoms | 17 |
| Complexity | 445.7419 |
Chemical Identifiers
| CAS Number | 880451-94-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCCSC2=NNC(=N2)N |
Product Overview
5-(3-phenoxypropylthio)-4H-1,2,4-triazole-3-ylamine (CAS 880451-94-5), with molecular formula C11H14N4OS and molecular weight 250.09 g/mol. IUPAC: 3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of 5-(3-phenoxypropylthio)-4H-1,2,4-triazole-3-ylamine
Property Insights of 5-(3-phenoxypropylthio)-4H-1,2,4-triazole-3-ylamine
The XLogP value of 1.9481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-phenoxypropylthio)-4H-1,2,4-triazole-3-ylamine. The TPSA of 76.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-phenoxypropylthio)-4H-1,2,4-triazole-3-ylamine. Following Lipinski's Rule of Five, 5-(3-phenoxypropylthio)-4H-1,2,4-triazole-3-ylamine has 2 hydrogen bond donor(s) and 5 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-phenoxypropylthio)-4H-1,2,4-triazole-3-ylamine?
The CAS number of 5-(3-phenoxypropylthio)-4H-1,2,4-triazole-3-ylamine is 880451-94-5.
What is the molecular formula of 5-(3-phenoxypropylthio)-4H-1,2,4-triazole-3-ylamine?
The molecular formula of 5-(3-phenoxypropylthio)-4H-1,2,4-triazole-3-ylamine is C11H14N4OS.
What is the molecular weight of 5-(3-phenoxypropylthio)-4H-1,2,4-triazole-3-ylamine?
The molecular weight of 5-(3-phenoxypropylthio)-4H-1,2,4-triazole-3-ylamine is 250.09 g/mol.
Where can I buy 5-(3-phenoxypropylthio)-4H-1,2,4-triazole-3-ylamine?
You can request a quote for 5-(3-phenoxypropylthio)-4H-1,2,4-triazole-3-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-phenoxypropylthio)-4H-1,2,4-triazole-3-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-phenoxypropylthio)-4H-1,2,4-triazole-3-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.