2-Propanone, 1-((1-methyl-1H-tetrazol-5-yl)thio)-
TL;DR: 2-Propanone, 1-((1-methyl-1H-tetrazol-5-yl)thio)- (CAS 80087-26-9) is a chemical compound with molecular formula C5H8N4OS and molecular weight 172.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-methyltetrazol-5-yl)sulfanylpropan-2-one
Also Known As: 1-methyl-5-acetonylthiotetrazole, 5-acetonylthio-1-methyltetrazole, 1-((1-Methyl-1H-tetrazol-5-yl)thio)-2-propanone, 2-Propanone, 1-((1-methyl-1H-tetrazol-5-yl)thio)-, 1-Methyl-5-(acetylmethyl)thio-1,2,3,4-tetrazole
| Molecular Formula | C5H8N4OS |
|---|---|
| Molecular Weight | 172.04 g/mol |
| LogP | -0.1088 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.04189 |
| Heavy Atoms | 11 |
| Complexity | 258.74002 |
Chemical Identifiers
| CAS Number | 80087-26-9 |
|---|---|
| SMILES | CC(=O)CSC1=NN=NN1C |
Product Overview
2-Propanone, 1-((1-methyl-1H-tetrazol-5-yl)thio)- (CAS 80087-26-9), with molecular formula C5H8N4OS and molecular weight 172.04 g/mol. IUPAC: 1-(1-methyltetrazol-5-yl)sulfanylpropan-2-one.
Chemical Property Profile of 2-Propanone, 1-((1-methyl-1H-tetrazol-5-yl)thio)-
Property Insights of 2-Propanone, 1-((1-methyl-1H-tetrazol-5-yl)thio)-
The XLogP value of -0.1088 indicates that 2-Propanone, 1-((1-methyl-1H-tetrazol-5-yl)thio)- 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 2-Propanone, 1-((1-methyl-1H-tetrazol-5-yl)thio)-. Following Lipinski's Rule of Five, 2-Propanone, 1-((1-methyl-1H-tetrazol-5-yl)thio)- 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 2-Propanone, 1-((1-methyl-1H-tetrazol-5-yl)thio)-?
The CAS number of 2-Propanone, 1-((1-methyl-1H-tetrazol-5-yl)thio)- is 80087-26-9.
What is the molecular formula of 2-Propanone, 1-((1-methyl-1H-tetrazol-5-yl)thio)-?
The molecular formula of 2-Propanone, 1-((1-methyl-1H-tetrazol-5-yl)thio)- is C5H8N4OS.
What is the molecular weight of 2-Propanone, 1-((1-methyl-1H-tetrazol-5-yl)thio)-?
The molecular weight of 2-Propanone, 1-((1-methyl-1H-tetrazol-5-yl)thio)- is 172.04 g/mol.
Where can I buy 2-Propanone, 1-((1-methyl-1H-tetrazol-5-yl)thio)-?
You can request a quote for 2-Propanone, 1-((1-methyl-1H-tetrazol-5-yl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanone, 1-((1-methyl-1H-tetrazol-5-yl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, 1-((1-methyl-1H-tetrazol-5-yl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.