2-((1-Methyl-1h-tetrazol-5-yl)thio)-1-phenylethan-1-one
TL;DR: 2-((1-Methyl-1h-tetrazol-5-yl)thio)-1-phenylethan-1-one (CAS 80087-27-0) is a chemical compound with molecular formula C10H10N4OS and molecular weight 234.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methyltetrazol-5-yl)sulfanyl-1-phenylethanone
Also Known As: BAS 02832995, 2-((1-Methyl-1h-tetrazol-5-yl)thio)-1-phenylethan-1-one, 2-(1-methyltetrazol-5-yl)sulfanyl-1-phenylethanone, 2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-1-phenyl-ethanone, 2-[(1-methyl-1 h -tetrazol-5-yl)sulfanyl]-1-phenylethanone
| Molecular Formula | C10H10N4OS |
|---|---|
| Molecular Weight | 234.06 g/mol |
| LogP | 1.1851 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.05753 |
| Heavy Atoms | 16 |
| Complexity | 482.57407 |
Chemical Identifiers
| CAS Number | 80087-27-0 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC(=O)C2=CC=CC=C2 |
Product Overview
2-((1-Methyl-1h-tetrazol-5-yl)thio)-1-phenylethan-1-one (CAS 80087-27-0), with molecular formula C10H10N4OS and molecular weight 234.06 g/mol. IUPAC: 2-(1-methyltetrazol-5-yl)sulfanyl-1-phenylethanone.
Chemical Property Profile of 2-((1-Methyl-1h-tetrazol-5-yl)thio)-1-phenylethan-1-one
Property Insights of 2-((1-Methyl-1h-tetrazol-5-yl)thio)-1-phenylethan-1-one
The XLogP value of 1.1851 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1-Methyl-1h-tetrazol-5-yl)thio)-1-phenylethan-1-one. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-Methyl-1h-tetrazol-5-yl)thio)-1-phenylethan-1-one. Following Lipinski's Rule of Five, 2-((1-Methyl-1h-tetrazol-5-yl)thio)-1-phenylethan-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 2-((1-Methyl-1h-tetrazol-5-yl)thio)-1-phenylethan-1-one?
The CAS number of 2-((1-Methyl-1h-tetrazol-5-yl)thio)-1-phenylethan-1-one is 80087-27-0.
What is the molecular formula of 2-((1-Methyl-1h-tetrazol-5-yl)thio)-1-phenylethan-1-one?
The molecular formula of 2-((1-Methyl-1h-tetrazol-5-yl)thio)-1-phenylethan-1-one is C10H10N4OS.
What is the molecular weight of 2-((1-Methyl-1h-tetrazol-5-yl)thio)-1-phenylethan-1-one?
The molecular weight of 2-((1-Methyl-1h-tetrazol-5-yl)thio)-1-phenylethan-1-one is 234.06 g/mol.
Where can I buy 2-((1-Methyl-1h-tetrazol-5-yl)thio)-1-phenylethan-1-one?
You can request a quote for 2-((1-Methyl-1h-tetrazol-5-yl)thio)-1-phenylethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1-Methyl-1h-tetrazol-5-yl)thio)-1-phenylethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-Methyl-1h-tetrazol-5-yl)thio)-1-phenylethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.