1-(3-Chlorophenyl)-2-((1-methyl-1h-tetrazol-5-yl)thio)ethan-1-one
TL;DR: 1-(3-Chlorophenyl)-2-((1-methyl-1h-tetrazol-5-yl)thio)ethan-1-one (CAS 380577-06-0) is a chemical compound with molecular formula C10H9ClN4OS and molecular weight 268.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
Also Known As: 1-(3-Chlorophenyl)-2-((1-methyl-1h-tetrazol-5-yl)thio)ethan-1-one, 1-(3-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
| Molecular Formula | C10H9ClN4OS |
|---|---|
| Molecular Weight | 268.02 g/mol |
| LogP | 1.8385 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.01855 |
| Heavy Atoms | 17 |
| Complexity | 542.6071 |
Chemical Identifiers
| CAS Number | 380577-06-0 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC(=O)C2=CC(=CC=C2)Cl |
Product Overview
1-(3-Chlorophenyl)-2-((1-methyl-1h-tetrazol-5-yl)thio)ethan-1-one (CAS 380577-06-0), with molecular formula C10H9ClN4OS and molecular weight 268.02 g/mol. IUPAC: 1-(3-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone.
Chemical Property Profile of 1-(3-Chlorophenyl)-2-((1-methyl-1h-tetrazol-5-yl)thio)ethan-1-one
Property Insights of 1-(3-Chlorophenyl)-2-((1-methyl-1h-tetrazol-5-yl)thio)ethan-1-one
The XLogP value of 1.8385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chlorophenyl)-2-((1-methyl-1h-tetrazol-5-yl)thio)ethan-1-one. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Chlorophenyl)-2-((1-methyl-1h-tetrazol-5-yl)thio)ethan-1-one. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-2-((1-methyl-1h-tetrazol-5-yl)thio)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-(3-Chlorophenyl)-2-((1-methyl-1h-tetrazol-5-yl)thio)ethan-1-one?
The CAS number of 1-(3-Chlorophenyl)-2-((1-methyl-1h-tetrazol-5-yl)thio)ethan-1-one is 380577-06-0.
What is the molecular formula of 1-(3-Chlorophenyl)-2-((1-methyl-1h-tetrazol-5-yl)thio)ethan-1-one?
The molecular formula of 1-(3-Chlorophenyl)-2-((1-methyl-1h-tetrazol-5-yl)thio)ethan-1-one is C10H9ClN4OS.
What is the molecular weight of 1-(3-Chlorophenyl)-2-((1-methyl-1h-tetrazol-5-yl)thio)ethan-1-one?
The molecular weight of 1-(3-Chlorophenyl)-2-((1-methyl-1h-tetrazol-5-yl)thio)ethan-1-one is 268.02 g/mol.
Where can I buy 1-(3-Chlorophenyl)-2-((1-methyl-1h-tetrazol-5-yl)thio)ethan-1-one?
You can request a quote for 1-(3-Chlorophenyl)-2-((1-methyl-1h-tetrazol-5-yl)thio)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-(3-Chlorophenyl)-2-((1-methyl-1h-tetrazol-5-yl)thio)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorophenyl)-2-((1-methyl-1h-tetrazol-5-yl)thio)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.