![4-[(1-Methyltetrazol-5-yl)sulfanylmethyl]benzonitrile structure](/static/products/4447/444791-48-4.webp)
4-[(1-Methyltetrazol-5-yl)sulfanylmethyl]benzonitrile
TL;DR: 4-[(1-Methyltetrazol-5-yl)sulfanylmethyl]benzonitrile (CAS 444791-48-4) is a chemical compound with molecular formula C10H9N5S and molecular weight 231.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzonitrile
Also Known As: 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzonitrile, BAS 03578194, 4-{[(1-methyl-1H-tetraazol-5-yl)sulfanyl]methyl}benzonitrile, AI-204/31688035, 4-(1-Methyl-1H-tetrazol-5-ylsulfanylmethyl)-benzonitrile
| Molecular Formula | C10H9N5S |
|---|---|
| Molecular Weight | 231.06 g/mol |
| LogP | 1.37408 |
| Topological Polar Surface Area | 67.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.05786 |
| Heavy Atoms | 16 |
| Complexity | 510.75082 |
Chemical Identifiers
| CAS Number | 444791-48-4 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC2=CC=C(C=C2)C#N |
Product Overview
4-[(1-Methyltetrazol-5-yl)sulfanylmethyl]benzonitrile (CAS 444791-48-4), with molecular formula C10H9N5S and molecular weight 231.06 g/mol. IUPAC: 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzonitrile.
Chemical Property Profile of 4-[(1-Methyltetrazol-5-yl)sulfanylmethyl]benzonitrile
Property Insights of 4-[(1-Methyltetrazol-5-yl)sulfanylmethyl]benzonitrile
The XLogP value of 1.37408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1-Methyltetrazol-5-yl)sulfanylmethyl]benzonitrile. The TPSA of 67.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1-Methyltetrazol-5-yl)sulfanylmethyl]benzonitrile. Following Lipinski's Rule of Five, 4-[(1-Methyltetrazol-5-yl)sulfanylmethyl]benzonitrile 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 4-[(1-Methyltetrazol-5-yl)sulfanylmethyl]benzonitrile?
The CAS number of 4-[(1-Methyltetrazol-5-yl)sulfanylmethyl]benzonitrile is 444791-48-4.
What is the molecular formula of 4-[(1-Methyltetrazol-5-yl)sulfanylmethyl]benzonitrile?
The molecular formula of 4-[(1-Methyltetrazol-5-yl)sulfanylmethyl]benzonitrile is C10H9N5S.
What is the molecular weight of 4-[(1-Methyltetrazol-5-yl)sulfanylmethyl]benzonitrile?
The molecular weight of 4-[(1-Methyltetrazol-5-yl)sulfanylmethyl]benzonitrile is 231.06 g/mol.
Where can I buy 4-[(1-Methyltetrazol-5-yl)sulfanylmethyl]benzonitrile?
You can request a quote for 4-[(1-Methyltetrazol-5-yl)sulfanylmethyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1-Methyltetrazol-5-yl)sulfanylmethyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1-Methyltetrazol-5-yl)sulfanylmethyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.