2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile
TL;DR: 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile (CAS 307507-92-2) is a chemical compound with molecular formula C10H8N4S and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile
Also Known As: CBKinase1_001687, CBKinase1_014087, 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile, 2-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]benzonitrile, BAS 01127638
| Molecular Formula | C10H8N4S |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.04697 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 307507-92-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NC=NN2)C#N |
| InChIKey | GMRJGXUYTWUBAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile (CAS 307507-92-2), with molecular formula C10H8N4S and molecular weight 216.05 g/mol. IUPAC: 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile.
Chemical Property Profile of 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile
Property Insights of 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile. Following Lipinski's Rule of Five, 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile has 1 hydrogen bond donor(s) and 4 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-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile?
The CAS number of 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile is 307507-92-2.
What is the molecular formula of 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile?
The molecular formula of 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile is C10H8N4S.
What is the molecular weight of 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile?
The molecular weight of 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile is 216.05 g/mol.
Where can I buy 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile?
You can request a quote for 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.