1H-1,2,4-Triazole, 3-methyl-5-(methylthio)-
TL;DR: 1H-1,2,4-Triazole, 3-methyl-5-(methylthio)- (CAS 34985-98-3) is a chemical compound with molecular formula C4H7N3S and molecular weight 129.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-methylsulfanyl-1H-1,2,4-triazole
Also Known As: dimethyl-1,2,4-triazolethiol, 3-Methyl-5-(methylthio)-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 3-methyl-5-(methylthio)-, 5-methyl-3-methylsulfanyl-1H-1,2,4-triazole, 1H-1,2,4-Triazole,3-methyl-5- -
| Molecular Formula | C4H7N3S |
|---|---|
| Molecular Weight | 129.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 129.03607 |
| Heavy Atoms | 8 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 34985-98-3 |
|---|---|
| SMILES | CC1=NC(=NN1)SC |
| InChIKey | IJQOCRRZPZXSQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-1,2,4-Triazole, 3-methyl-5-(methylthio)- (CAS 34985-98-3), with molecular formula C4H7N3S and molecular weight 129.04 g/mol. IUPAC: 5-methyl-3-methylsulfanyl-1H-1,2,4-triazole.
Chemical Property Profile of 1H-1,2,4-Triazole, 3-methyl-5-(methylthio)-
Property Insights of 1H-1,2,4-Triazole, 3-methyl-5-(methylthio)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole, 3-methyl-5-(methylthio)-. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole, 3-methyl-5-(methylthio)-. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 3-methyl-5-(methylthio)- has 1 hydrogen bond donor(s) and 3 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 1H-1,2,4-Triazole, 3-methyl-5-(methylthio)-?
The CAS number of 1H-1,2,4-Triazole, 3-methyl-5-(methylthio)- is 34985-98-3.
What is the molecular formula of 1H-1,2,4-Triazole, 3-methyl-5-(methylthio)-?
The molecular formula of 1H-1,2,4-Triazole, 3-methyl-5-(methylthio)- is C4H7N3S.
What is the molecular weight of 1H-1,2,4-Triazole, 3-methyl-5-(methylthio)-?
The molecular weight of 1H-1,2,4-Triazole, 3-methyl-5-(methylthio)- is 129.04 g/mol.
Where can I buy 1H-1,2,4-Triazole, 3-methyl-5-(methylthio)-?
You can request a quote for 1H-1,2,4-Triazole, 3-methyl-5-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole, 3-methyl-5-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 3-methyl-5-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.