3-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile
TL;DR: 3-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile (CAS 65348-50-7) 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-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile
Also Known As: 3-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile, 3-(3-phenyl-5-thioxo-1,2,4-triazolinyl)propanenitrile, 3-(3-phenyl-5-sulfanylidene-2H-1,2,4-triazol-1-yl)propanenitrile, 1H-1,2,4-Triazole-1-propanenitrile, 2,5-dihydro-3-phenyl-5-thioxo-, 3-(3-phenyl-5-thioxo-4,5-dihydro-[1,2,4]triazol-1-yl)-propionitrile
| Molecular Formula | C11H10N4S |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 2.52137 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.06262 |
| Heavy Atoms | 16 |
| Complexity | 561.66077 |
Chemical Identifiers
| CAS Number | 65348-50-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=S)N(N2)CCC#N |
Product Overview
3-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile (CAS 65348-50-7), with molecular formula C11H10N4S and molecular weight 230.06 g/mol. IUPAC: 3-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile.
Chemical Property Profile of 3-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile
Property Insights of 3-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile
The XLogP value of 2.52137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile. With a topological polar surface area (TPSA) of 57.4 Ų, 3-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile has 1 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-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile?
The CAS number of 3-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile is 65348-50-7.
What is the molecular formula of 3-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile?
The molecular formula of 3-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile is C11H10N4S.
What is the molecular weight of 3-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile?
The molecular weight of 3-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile is 230.06 g/mol.
Where can I buy 3-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile?
You can request a quote for 3-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-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-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.