1-(1-Methyl-1,2,3,4-tetraazol-5-ylthio)ethan-1-one
TL;DR: 1-(1-Methyl-1,2,3,4-tetraazol-5-ylthio)ethan-1-one (CAS 392718-98-8) is a chemical compound with molecular formula C4H6N4OS and molecular weight 158.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(1-methyltetrazol-5-yl) ethanethioate
Also Known As: Cefmenoxime Impurity 12, S-(1-methyltetrazol-5-yl) ethanethioate, 1-(1-methyltetrazol-5-yl)sulfanylethanone, S-(1-methyl-1H-tetrazol-5-yl) ethanethioate, 1-(1-methyl-1,2,3,4-tetraazol-5-ylthio)ethan-1-one
| Molecular Formula | C4H6N4OS |
|---|---|
| Molecular Weight | 158.03 g/mol |
| LogP | -0.1513 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.02623 |
| Heavy Atoms | 10 |
| Complexity | 245.16055 |
Chemical Identifiers
| CAS Number | 392718-98-8 |
|---|---|
| SMILES | CC(=O)SC1=NN=NN1C |
Product Overview
1-(1-Methyl-1,2,3,4-tetraazol-5-ylthio)ethan-1-one (CAS 392718-98-8), with molecular formula C4H6N4OS and molecular weight 158.03 g/mol. IUPAC: S-(1-methyltetrazol-5-yl) ethanethioate.
Chemical Property Profile of 1-(1-Methyl-1,2,3,4-tetraazol-5-ylthio)ethan-1-one
Property Insights of 1-(1-Methyl-1,2,3,4-tetraazol-5-ylthio)ethan-1-one
The XLogP value of -0.1513 indicates that 1-(1-Methyl-1,2,3,4-tetraazol-5-ylthio)ethan-1-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-Methyl-1,2,3,4-tetraazol-5-ylthio)ethan-1-one. Following Lipinski's Rule of Five, 1-(1-Methyl-1,2,3,4-tetraazol-5-ylthio)ethan-1-one has 0 hydrogen bond donor(s) and 5 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 1-(1-Methyl-1,2,3,4-tetraazol-5-ylthio)ethan-1-one?
The CAS number of 1-(1-Methyl-1,2,3,4-tetraazol-5-ylthio)ethan-1-one is 392718-98-8.
What is the molecular formula of 1-(1-Methyl-1,2,3,4-tetraazol-5-ylthio)ethan-1-one?
The molecular formula of 1-(1-Methyl-1,2,3,4-tetraazol-5-ylthio)ethan-1-one is C4H6N4OS.
What is the molecular weight of 1-(1-Methyl-1,2,3,4-tetraazol-5-ylthio)ethan-1-one?
The molecular weight of 1-(1-Methyl-1,2,3,4-tetraazol-5-ylthio)ethan-1-one is 158.03 g/mol.
Where can I buy 1-(1-Methyl-1,2,3,4-tetraazol-5-ylthio)ethan-1-one?
You can request a quote for 1-(1-Methyl-1,2,3,4-tetraazol-5-ylthio)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Methyl-1,2,3,4-tetraazol-5-ylthio)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Methyl-1,2,3,4-tetraazol-5-ylthio)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.