![3-[(2-methylbenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine structure](/static/products/849/849524-40-9.png)
3-[(2-methylbenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine
TL;DR: 3-[(2-methylbenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine (CAS 849524-40-9) is a chemical compound with molecular formula C10H12N4S and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine
Also Known As: 3-[(2-methylbenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine, 5-[(2-methylbenzyl)sulfanyl]-1H-1,2,4-triazol-3-ylamine, 5-{[(2-methylphenyl)methyl]sulfanyl}-1H-1,2,4-triazol-3-amine, 3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine, 3-(o-tolylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
| Molecular Formula | C10H12N4S |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 1.98762 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.07826 |
| Heavy Atoms | 15 |
| Complexity | 452.18796 |
Chemical Identifiers
| CAS Number | 849524-40-9 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC2=NNC(=N2)N |
Product Overview
3-[(2-methylbenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine (CAS 849524-40-9), with molecular formula C10H12N4S and molecular weight 220.08 g/mol. IUPAC: 3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of 3-[(2-methylbenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine
Property Insights of 3-[(2-methylbenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine
The XLogP value of 1.98762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-methylbenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine. The TPSA of 67.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-methylbenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine. Following Lipinski's Rule of Five, 3-[(2-methylbenzyl)sulfanyl]-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-[(2-methylbenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine?
The CAS number of 3-[(2-methylbenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine is 849524-40-9.
What is the molecular formula of 3-[(2-methylbenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine?
The molecular formula of 3-[(2-methylbenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine is C10H12N4S.
What is the molecular weight of 3-[(2-methylbenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine?
The molecular weight of 3-[(2-methylbenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine is 220.08 g/mol.
Where can I buy 3-[(2-methylbenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine?
You can request a quote for 3-[(2-methylbenzyl)sulfanyl]-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-[(2-methylbenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-methylbenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.