![2-[(4-Amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile structure](/static/products/111/111828-01-4.png)
2-[(4-Amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile
TL;DR: 2-[(4-Amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile (CAS 111828-01-4) 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.
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile
Also Known As: J2.018.644E, 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile, 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetonitrile, 2-(4-Amino-5-phenyl-4H-1,2,4-triazole-3-ylthio)acetonitrile, Acetonitrile, [(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-
| Molecular Formula | C10H9N5S |
|---|---|
| Molecular Weight | 231.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.05786 |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 111828-01-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2N)SCC#N |
| InChIKey | MXYUREBIRYPONM-UHFFFAOYSA-N |
Product Overview
2-[(4-Amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile (CAS 111828-01-4), with molecular formula C10H9N5S and molecular weight 231.06 g/mol. IUPAC: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile.
Chemical Property Profile of 2-[(4-Amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile
Property Insights of 2-[(4-Amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile. Following Lipinski's Rule of Five, 2-[(4-Amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile 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
Frequently Asked Questions
What is the CAS number of 2-[(4-Amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile?
The CAS number of 2-[(4-Amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile is 111828-01-4.
What is the molecular formula of 2-[(4-Amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile?
The molecular formula of 2-[(4-Amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile is C10H9N5S.
What is the molecular weight of 2-[(4-Amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile?
The molecular weight of 2-[(4-Amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile is 231.06 g/mol.
Where can I buy 2-[(4-Amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile?
You can request a quote for 2-[(4-Amino-5-phenyl-1,2,4-triazol-3-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 2-[(4-Amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.