3-(benzylsulfinyl)-1H-1,2,4-triazol-5-amine
TL;DR: 3-(benzylsulfinyl)-1H-1,2,4-triazol-5-amine (CAS 180727-22-4) is a chemical compound with molecular formula C9H10N4OS and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfinyl-1H-1,2,4-triazol-3-amine
Also Known As: 3-(benzylsulfinyl)-1H-1,2,4-triazol-5-amine, 3-phenylmethanesulfinyl-1H-1,2,4-triazol-5-amine, 5-benzylsulfinyl-1H-1,2,4-triazol-3-amine, 3-[benzylsulfinyl]-1H-1,2,4-triazole-5-ylamine
| Molecular Formula | C9H10N4OS |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 0.6947 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.05753 |
| Heavy Atoms | 15 |
| Complexity | 467.9744 |
Chemical Identifiers
| CAS Number | 180727-22-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)C2=NC(=NN2)N |
Product Overview
3-(benzylsulfinyl)-1H-1,2,4-triazol-5-amine (CAS 180727-22-4), with molecular formula C9H10N4OS and molecular weight 222.06 g/mol. IUPAC: 5-benzylsulfinyl-1H-1,2,4-triazol-3-amine.
Chemical Property Profile of 3-(benzylsulfinyl)-1H-1,2,4-triazol-5-amine
Property Insights of 3-(benzylsulfinyl)-1H-1,2,4-triazol-5-amine
The XLogP value of 0.6947 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(benzylsulfinyl)-1H-1,2,4-triazol-5-amine. The TPSA of 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzylsulfinyl)-1H-1,2,4-triazol-5-amine. Following Lipinski's Rule of Five, 3-(benzylsulfinyl)-1H-1,2,4-triazol-5-amine 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-(benzylsulfinyl)-1H-1,2,4-triazol-5-amine?
The CAS number of 3-(benzylsulfinyl)-1H-1,2,4-triazol-5-amine is 180727-22-4.
What is the molecular formula of 3-(benzylsulfinyl)-1H-1,2,4-triazol-5-amine?
The molecular formula of 3-(benzylsulfinyl)-1H-1,2,4-triazol-5-amine is C9H10N4OS.
What is the molecular weight of 3-(benzylsulfinyl)-1H-1,2,4-triazol-5-amine?
The molecular weight of 3-(benzylsulfinyl)-1H-1,2,4-triazol-5-amine is 222.06 g/mol.
Where can I buy 3-(benzylsulfinyl)-1H-1,2,4-triazol-5-amine?
You can request a quote for 3-(benzylsulfinyl)-1H-1,2,4-triazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzylsulfinyl)-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzylsulfinyl)-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.