3-Methylthio-1,2,4-triazine
TL;DR: 3-Methylthio-1,2,4-triazine (CAS 28735-21-9) is a chemical compound with molecular formula C4H5N3S and molecular weight 127.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-1,2,4-triazine
Also Known As: 3-(Methylthio)-as-Triazine, 3-METHYLTHIO-1,2,4-TRIAZINE, 3-(Methylthio)-1,2,4-triazine, 1,2,4-Triazine, 3-(methylthio)-, 3-methylsulfanyl-1,2,4-triazine
| Molecular Formula | C4H5N3S |
|---|---|
| Molecular Weight | 127.02 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.02042 |
| Heavy Atoms | 8 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 28735-21-9 |
|---|---|
| SMILES | CSC1=NC=CN=N1 |
| InChIKey | NFHGWQLAJYTULJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylthio-1,2,4-triazine (CAS 28735-21-9), with molecular formula C4H5N3S and molecular weight 127.02 g/mol. IUPAC: 3-methylsulfanyl-1,2,4-triazine.
Chemical Property Profile of 3-Methylthio-1,2,4-triazine
Property Insights of 3-Methylthio-1,2,4-triazine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylthio-1,2,4-triazine. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methylthio-1,2,4-triazine. Following Lipinski's Rule of Five, 3-Methylthio-1,2,4-triazine has 0 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-1,2,4-triazine?
The CAS number of 3-Methylthio-1,2,4-triazine is 28735-21-9.
What is the molecular formula of 3-Methylthio-1,2,4-triazine?
The molecular formula of 3-Methylthio-1,2,4-triazine is C4H5N3S.
What is the molecular weight of 3-Methylthio-1,2,4-triazine?
The molecular weight of 3-Methylthio-1,2,4-triazine is 127.02 g/mol.
Where can I buy 3-Methylthio-1,2,4-triazine?
You can request a quote for 3-Methylthio-1,2,4-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylthio-1,2,4-triazine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylthio-1,2,4-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.