![1-[3-(5-mercapto-1H-tetrazol-1-yl)phenyl]ethanone structure](/static/products/872/872473-32-0.png)
1-[3-(5-mercapto-1H-tetrazol-1-yl)phenyl]ethanone
TL;DR: 1-[3-(5-mercapto-1H-tetrazol-1-yl)phenyl]ethanone (CAS 872473-32-0) is a chemical compound with molecular formula C9H8N4OS and molecular weight 220.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]ethanone
Also Known As: 1-[3-(5-mercapto-1H-tetrazol-1-yl)phenyl]ethanone, ASN 12878945, 1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]ethanone, 1-[3-(5-sulfanyl-1H-1,2,3,4-tetrazol-1-yl)phenyl]ethan-1-one, 1-3-(5-Mercapto-1H-tetrazol-1-yl)phenylethanone
| Molecular Formula | C9H8N4OS |
|---|---|
| Molecular Weight | 220.04 g/mol |
| LogP | 1.52749 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.04189 |
| Heavy Atoms | 15 |
| Complexity | 556.99005 |
Chemical Identifiers
| CAS Number | 872473-32-0 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)N2C(=S)N=NN2 |
Product Overview
1-[3-(5-mercapto-1H-tetrazol-1-yl)phenyl]ethanone (CAS 872473-32-0), with molecular formula C9H8N4OS and molecular weight 220.04 g/mol. IUPAC: 1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]ethanone.
Chemical Property Profile of 1-[3-(5-mercapto-1H-tetrazol-1-yl)phenyl]ethanone
Property Insights of 1-[3-(5-mercapto-1H-tetrazol-1-yl)phenyl]ethanone
The XLogP value of 1.52749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(5-mercapto-1H-tetrazol-1-yl)phenyl]ethanone. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(5-mercapto-1H-tetrazol-1-yl)phenyl]ethanone. Following Lipinski's Rule of Five, 1-[3-(5-mercapto-1H-tetrazol-1-yl)phenyl]ethanone has 1 hydrogen bond donor(s) and 4 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-(5-mercapto-1H-tetrazol-1-yl)phenyl]ethanone?
The CAS number of 1-[3-(5-mercapto-1H-tetrazol-1-yl)phenyl]ethanone is 872473-32-0.
What is the molecular formula of 1-[3-(5-mercapto-1H-tetrazol-1-yl)phenyl]ethanone?
The molecular formula of 1-[3-(5-mercapto-1H-tetrazol-1-yl)phenyl]ethanone is C9H8N4OS.
What is the molecular weight of 1-[3-(5-mercapto-1H-tetrazol-1-yl)phenyl]ethanone?
The molecular weight of 1-[3-(5-mercapto-1H-tetrazol-1-yl)phenyl]ethanone is 220.04 g/mol.
Where can I buy 1-[3-(5-mercapto-1H-tetrazol-1-yl)phenyl]ethanone?
You can request a quote for 1-[3-(5-mercapto-1H-tetrazol-1-yl)phenyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(5-mercapto-1H-tetrazol-1-yl)phenyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(5-mercapto-1H-tetrazol-1-yl)phenyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.