![[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetonitrile structure](/static/products/258/25804-06-2.png)
[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetonitrile
TL;DR: [(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetonitrile (CAS 25804-06-2) is a chemical compound with molecular formula C9H7N5S and molecular weight 217.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-phenyltetrazol-5-yl)sulfanylacetonitrile
Also Known As: BAS 00538238, 2-(1-phenyltetrazol-5-yl)sulfanylacetonitrile, [(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetonitrile, (1-Phenyl-1H-tetrazol-5-ylsulfanyl)-acetonitrile, AE-848/32010047
| Molecular Formula | C9H7N5S |
|---|---|
| Molecular Weight | 217.04 g/mol |
| LogP | 1.27798 |
| Topological Polar Surface Area | 67.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.04222 |
| Heavy Atoms | 15 |
| Complexity | 472.74796 |
Chemical Identifiers
| CAS Number | 25804-06-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCC#N |
Product Overview
[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetonitrile (CAS 25804-06-2), with molecular formula C9H7N5S and molecular weight 217.04 g/mol. IUPAC: 2-(1-phenyltetrazol-5-yl)sulfanylacetonitrile.
Chemical Property Profile of [(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetonitrile
Property Insights of [(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetonitrile
The XLogP value of 1.27798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetonitrile. The TPSA of 67.39 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetonitrile. Following Lipinski's Rule of Five, [(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetonitrile 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-phenyl-1H-tetraazol-5-yl)sulfanyl]acetonitrile?
The CAS number of [(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetonitrile is 25804-06-2.
What is the molecular formula of [(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetonitrile?
The molecular formula of [(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetonitrile is C9H7N5S.
What is the molecular weight of [(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetonitrile?
The molecular weight of [(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetonitrile is 217.04 g/mol.
Where can I buy [(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetonitrile?
You can request a quote for [(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.