2-(1-Phenyl-1H-tetrazol-5-ylsulfanylmethyl)-pyridine
TL;DR: 2-(1-Phenyl-1H-tetrazol-5-ylsulfanylmethyl)-pyridine (CAS 118641-46-6) is a chemical compound with molecular formula C13H11N5S and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine
Also Known As: UPCMLD0ENAT5680538:001, J3.037.465G, 2-(1-Phenyl-1H-tetrazol-5-ylsulfanylmethyl)-pyridine, 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine, 2-(((1-phenyl-1H-tetrazol-5-yl)thio)methyl)pyridine
| Molecular Formula | C13H11N5S |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.07352 |
| Heavy Atoms | 19 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 118641-46-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=CC=N3 |
| InChIKey | NTNMJNVYNLUJOB-UHFFFAOYSA-N |
Product Overview
2-(1-Phenyl-1H-tetrazol-5-ylsulfanylmethyl)-pyridine (CAS 118641-46-6), with molecular formula C13H11N5S and molecular weight 269.07 g/mol. IUPAC: 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine.
Chemical Property Profile of 2-(1-Phenyl-1H-tetrazol-5-ylsulfanylmethyl)-pyridine
Property Insights of 2-(1-Phenyl-1H-tetrazol-5-ylsulfanylmethyl)-pyridine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Phenyl-1H-tetrazol-5-ylsulfanylmethyl)-pyridine. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Phenyl-1H-tetrazol-5-ylsulfanylmethyl)-pyridine. Following Lipinski's Rule of Five, 2-(1-Phenyl-1H-tetrazol-5-ylsulfanylmethyl)-pyridine 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 2-(1-Phenyl-1H-tetrazol-5-ylsulfanylmethyl)-pyridine?
The CAS number of 2-(1-Phenyl-1H-tetrazol-5-ylsulfanylmethyl)-pyridine is 118641-46-6.
What is the molecular formula of 2-(1-Phenyl-1H-tetrazol-5-ylsulfanylmethyl)-pyridine?
The molecular formula of 2-(1-Phenyl-1H-tetrazol-5-ylsulfanylmethyl)-pyridine is C13H11N5S.
What is the molecular weight of 2-(1-Phenyl-1H-tetrazol-5-ylsulfanylmethyl)-pyridine?
The molecular weight of 2-(1-Phenyl-1H-tetrazol-5-ylsulfanylmethyl)-pyridine is 269.07 g/mol.
Where can I buy 2-(1-Phenyl-1H-tetrazol-5-ylsulfanylmethyl)-pyridine?
You can request a quote for 2-(1-Phenyl-1H-tetrazol-5-ylsulfanylmethyl)-pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Phenyl-1H-tetrazol-5-ylsulfanylmethyl)-pyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Phenyl-1H-tetrazol-5-ylsulfanylmethyl)-pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.