1H-1,2,4-Triazole, 3-(ethenylthio)-5-methyl-
TL;DR: 1H-1,2,4-Triazole, 3-(ethenylthio)-5-methyl- (CAS 85093-41-0) is a chemical compound with molecular formula C5H7N3S and molecular weight 141.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethenylsulfanyl-5-methyl-1H-1,2,4-triazole
Also Known As: 3-Vinylthio-5-methyl-1,2,4-triazole, 3-(Ethenylthio)-5-methyl-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 3-(ethenylthio)-5-methyl-, 3-ethenylsulfanyl-5-methyl-1H-1,2,4-triazole, 3-Ethenylthio-5-methyl-1H-1,2,4-triazole
| Molecular Formula | C5H7N3S |
|---|---|
| Molecular Weight | 141.04 g/mol |
| LogP | 1.34872 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.03607 |
| Heavy Atoms | 9 |
| Complexity | 205.72295 |
Chemical Identifiers
| CAS Number | 85093-41-0 |
|---|---|
| SMILES | CC1=NC(=NN1)SC=C |
Product Overview
1H-1,2,4-Triazole, 3-(ethenylthio)-5-methyl- (CAS 85093-41-0), with molecular formula C5H7N3S and molecular weight 141.04 g/mol. IUPAC: 3-ethenylsulfanyl-5-methyl-1H-1,2,4-triazole.
Chemical Property Profile of 1H-1,2,4-Triazole, 3-(ethenylthio)-5-methyl-
Property Insights of 1H-1,2,4-Triazole, 3-(ethenylthio)-5-methyl-
The XLogP value of 1.34872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole, 3-(ethenylthio)-5-methyl-. With a topological polar surface area (TPSA) of 41.57 Ų, 1H-1,2,4-Triazole, 3-(ethenylthio)-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 3-(ethenylthio)-5-methyl- 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-(ethenylthio)-5-methyl-?
The CAS number of 1H-1,2,4-Triazole, 3-(ethenylthio)-5-methyl- is 85093-41-0.
What is the molecular formula of 1H-1,2,4-Triazole, 3-(ethenylthio)-5-methyl-?
The molecular formula of 1H-1,2,4-Triazole, 3-(ethenylthio)-5-methyl- is C5H7N3S.
What is the molecular weight of 1H-1,2,4-Triazole, 3-(ethenylthio)-5-methyl-?
The molecular weight of 1H-1,2,4-Triazole, 3-(ethenylthio)-5-methyl- is 141.04 g/mol.
Where can I buy 1H-1,2,4-Triazole, 3-(ethenylthio)-5-methyl-?
You can request a quote for 1H-1,2,4-Triazole, 3-(ethenylthio)-5-methyl- 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-(ethenylthio)-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 3-(ethenylthio)-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.