3-(naphthylmethylthio)-1H-1,2,4-triazole-5-ylamine
TL;DR: 3-(naphthylmethylthio)-1H-1,2,4-triazole-5-ylamine (CAS 311799-55-0) is a chemical compound with molecular formula C13H12N4S and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
Also Known As: 3-(naphthylmethylthio)-1H-1,2,4-triazole-5-ylamine, BAS 04842674, AB00121829-01, AB00121829-03, 3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
| Molecular Formula | C13H12N4S |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 92.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.07828 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 311799-55-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2CSC3=NNC(=N3)N |
| InChIKey | ZPSUZWNLPGVHBT-UHFFFAOYSA-N |
Product Overview
3-(naphthylmethylthio)-1H-1,2,4-triazole-5-ylamine (CAS 311799-55-0), with molecular formula C13H12N4S and molecular weight 256.08 g/mol. IUPAC: 3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of 3-(naphthylmethylthio)-1H-1,2,4-triazole-5-ylamine
Property Insights of 3-(naphthylmethylthio)-1H-1,2,4-triazole-5-ylamine
The XLogP value of 3.2 indicates that 3-(naphthylmethylthio)-1H-1,2,4-triazole-5-ylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(naphthylmethylthio)-1H-1,2,4-triazole-5-ylamine. Following Lipinski's Rule of Five, 3-(naphthylmethylthio)-1H-1,2,4-triazole-5-ylamine has 2 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-(naphthylmethylthio)-1H-1,2,4-triazole-5-ylamine?
The CAS number of 3-(naphthylmethylthio)-1H-1,2,4-triazole-5-ylamine is 311799-55-0.
What is the molecular formula of 3-(naphthylmethylthio)-1H-1,2,4-triazole-5-ylamine?
The molecular formula of 3-(naphthylmethylthio)-1H-1,2,4-triazole-5-ylamine is C13H12N4S.
What is the molecular weight of 3-(naphthylmethylthio)-1H-1,2,4-triazole-5-ylamine?
The molecular weight of 3-(naphthylmethylthio)-1H-1,2,4-triazole-5-ylamine is 256.08 g/mol.
Where can I buy 3-(naphthylmethylthio)-1H-1,2,4-triazole-5-ylamine?
You can request a quote for 3-(naphthylmethylthio)-1H-1,2,4-triazole-5-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(naphthylmethylthio)-1H-1,2,4-triazole-5-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-(naphthylmethylthio)-1H-1,2,4-triazole-5-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.