3-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanenitrile
TL;DR: 3-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanenitrile (CAS 2344-48-1) is a chemical compound with molecular formula C11H10N4S and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)propanenitrile
Also Known As: 3-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanenitrile, 3-(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)propanenitrile
| Molecular Formula | C11H10N4S |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.06262 |
| Heavy Atoms | 16 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 2344-48-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=NN(C2=S)CCC#N |
| InChIKey | WDFPTZALKBAFFG-UHFFFAOYSA-N |
Product Overview
3-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanenitrile (CAS 2344-48-1), with molecular formula C11H10N4S and molecular weight 230.06 g/mol. IUPAC: 3-(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)propanenitrile.
Chemical Property Profile of 3-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanenitrile
Property Insights of 3-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanenitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanenitrile. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanenitrile. Following Lipinski's Rule of Five, 3-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanenitrile has 0 hydrogen bond donor(s) and 3 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 3-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanenitrile?
The CAS number of 3-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanenitrile is 2344-48-1.
What is the molecular formula of 3-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanenitrile?
The molecular formula of 3-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanenitrile is C11H10N4S.
What is the molecular weight of 3-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanenitrile?
The molecular weight of 3-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanenitrile is 230.06 g/mol.
Where can I buy 3-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanenitrile?
You can request a quote for 3-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.