![2-[[1-(4-Bromophenyl)-1H-tetrazol-5-yl]thio]acetamide structure](/static/products/1388/138841-21-1.webp)
2-[[1-(4-Bromophenyl)-1H-tetrazol-5-yl]thio]acetamide
TL;DR: 2-[[1-(4-Bromophenyl)-1H-tetrazol-5-yl]thio]acetamide (CAS 138841-21-1) is a chemical compound with molecular formula C9H8BrN5OS and molecular weight 312.9633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylacetamide
Also Known As: 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylacetamide, 2-[[1-(4-Bromophenyl)-1H-tetrazol-5-yl]thio]acetamide, 2-{[1-(4-bromophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide
Technical Specifications
| Molecular Formula | C9H8BrN5OS |
| Molecular Weight | 312.9633 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.9633 Da |
| Heavy Atoms | 17 |
| Complexity | 274.0 |
| SMILES | C1=CC(=CC=C1N2C(=NN=N2)SCC(=O)N)Br |
| InChIKey | BPFQUYUWBNKGFI-UHFFFAOYSA-N |
Chemical Property Profile of 2-[[1-(4-Bromophenyl)-1H-tetrazol-5-yl]thio]acetamide
Property Insights of 2-[[1-(4-Bromophenyl)-1H-tetrazol-5-yl]thio]acetamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[1-(4-Bromophenyl)-1H-tetrazol-5-yl]thio]acetamide. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[1-(4-Bromophenyl)-1H-tetrazol-5-yl]thio]acetamide. Following Lipinski's Rule of Five, 2-[[1-(4-Bromophenyl)-1H-tetrazol-5-yl]thio]acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[[1-(4-Bromophenyl)-1H-tetrazol-5-yl]thio]acetamide?
The CAS number of 2-[[1-(4-Bromophenyl)-1H-tetrazol-5-yl]thio]acetamide is 138841-21-1.
What is the molecular formula of 2-[[1-(4-Bromophenyl)-1H-tetrazol-5-yl]thio]acetamide?
The molecular formula of 2-[[1-(4-Bromophenyl)-1H-tetrazol-5-yl]thio]acetamide is C9H8BrN5OS.
What is the molecular weight of 2-[[1-(4-Bromophenyl)-1H-tetrazol-5-yl]thio]acetamide?
The molecular weight of 2-[[1-(4-Bromophenyl)-1H-tetrazol-5-yl]thio]acetamide is 312.9633 g/mol.
Where can I buy 2-[[1-(4-Bromophenyl)-1H-tetrazol-5-yl]thio]acetamide?
You can request a quote for 2-[[1-(4-Bromophenyl)-1H-tetrazol-5-yl]thio]acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[[1-(4-Bromophenyl)-1H-tetrazol-5-yl]thio]acetamide?
Yes, CoreyChem provides custom synthesis services for 2-[[1-(4-Bromophenyl)-1H-tetrazol-5-yl]thio]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.