3-(Methylthio)-4H-1,2,4-triazol-4-amine
TL;DR: 3-(Methylthio)-4H-1,2,4-triazol-4-amine (CAS 65901-91-9) is a chemical compound with molecular formula C3H6N4S and molecular weight 130.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-1,2,4-triazol-4-amine
Also Known As: 3-(METHYLTHIO)-4H-1,2,4-TRIAZOL-4-AMINE, 3-(methylsulfanyl)-4H-1,2,4-triazol-4-amine, 3-methylsulfanyl-1,2,4-triazol-4-amine, 3-methylthio-1,2,4-triazole-4-ylamine, 4-Amino-5-methylmercapto-1,2,4-triazol
| Molecular Formula | C3H6N4S |
|---|---|
| Molecular Weight | 130.03 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 130.03131 |
| Heavy Atoms | 8 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 65901-91-9 |
|---|---|
| SMILES | CSC1=NN=CN1N |
| InChIKey | ADOZKMJJGVRACC-UHFFFAOYSA-N |
Product Overview
3-(Methylthio)-4H-1,2,4-triazol-4-amine (CAS 65901-91-9), with molecular formula C3H6N4S and molecular weight 130.03 g/mol. IUPAC: 3-methylsulfanyl-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-(Methylthio)-4H-1,2,4-triazol-4-amine
Property Insights of 3-(Methylthio)-4H-1,2,4-triazol-4-amine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylthio)-4H-1,2,4-triazol-4-amine. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methylthio)-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-(Methylthio)-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-(Methylthio)-4H-1,2,4-triazol-4-amine?
The CAS number of 3-(Methylthio)-4H-1,2,4-triazol-4-amine is 65901-91-9.
What is the molecular formula of 3-(Methylthio)-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-(Methylthio)-4H-1,2,4-triazol-4-amine is C3H6N4S.
What is the molecular weight of 3-(Methylthio)-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-(Methylthio)-4H-1,2,4-triazol-4-amine is 130.03 g/mol.
Where can I buy 3-(Methylthio)-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-(Methylthio)-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-(Methylthio)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylthio)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.