1-(4-Ethoxyphenyl)-5-mercapto-1H-tetrazole
TL;DR: 1-(4-Ethoxyphenyl)-5-mercapto-1H-tetrazole (CAS 15182-68-0) is a chemical compound with molecular formula C9H10N4OS and molecular weight 222.05753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-ethoxyphenyl)-2H-tetrazole-5-thione
Also Known As: 1-(4-Ethoxyphenyl)-5-mercapto-1H-tetrazole, 1-(4-Ethoxyphenyl)-1H-tetrazole-5-thiol, 1-(4-ethoxyphenyl)-2H-tetrazole-5-thione, BAS 15425027, J2.645.099C
Technical Specifications
| Molecular Formula | C9H10N4OS |
| Molecular Weight | 222.05753 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 81.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.05753 Da |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
| SMILES | CCOC1=CC=C(C=C1)N2C(=S)N=NN2 |
| InChIKey | ASFXKDBHBVHSLT-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Ethoxyphenyl)-5-mercapto-1H-tetrazole
Property Insights of 1-(4-Ethoxyphenyl)-5-mercapto-1H-tetrazole
The XLogP value of 3.2 indicates that 1-(4-Ethoxyphenyl)-5-mercapto-1H-tetrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Ethoxyphenyl)-5-mercapto-1H-tetrazole. Following Lipinski's Rule of Five, 1-(4-Ethoxyphenyl)-5-mercapto-1H-tetrazole 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
What is the CAS number of 1-(4-Ethoxyphenyl)-5-mercapto-1H-tetrazole?
The CAS number of 1-(4-Ethoxyphenyl)-5-mercapto-1H-tetrazole is 15182-68-0.
What is the molecular formula of 1-(4-Ethoxyphenyl)-5-mercapto-1H-tetrazole?
The molecular formula of 1-(4-Ethoxyphenyl)-5-mercapto-1H-tetrazole is C9H10N4OS.
What is the molecular weight of 1-(4-Ethoxyphenyl)-5-mercapto-1H-tetrazole?
The molecular weight of 1-(4-Ethoxyphenyl)-5-mercapto-1H-tetrazole is 222.05753 g/mol.
Where can I buy 1-(4-Ethoxyphenyl)-5-mercapto-1H-tetrazole?
You can request a quote for 1-(4-Ethoxyphenyl)-5-mercapto-1H-tetrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Ethoxyphenyl)-5-mercapto-1H-tetrazole?
Yes, CoreyChem provides custom synthesis services for 1-(4-Ethoxyphenyl)-5-mercapto-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.