2-(Tert-butylsulfanyl)pyridine-4-carbonitrile
TL;DR: 2-(Tert-butylsulfanyl)pyridine-4-carbonitrile (CAS 501074-85-7) is a chemical compound with molecular formula C10H12N2S and molecular weight 192.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylsulfanylpyridine-4-carbonitrile
Also Known As: 2-(tert-butylsulfanyl)pyridine-4-carbonitrile, 2-tert-butylsulfanylpyridine-4-carbonitrile
| Molecular Formula | C10H12N2S |
|---|---|
| Molecular Weight | 192.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 62.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.07211 |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 501074-85-7 |
|---|---|
| SMILES | CC(C)(C)SC1=NC=CC(=C1)C#N |
| InChIKey | PQMTYQGEOMDXFT-UHFFFAOYSA-N |
Product Overview
2-(Tert-butylsulfanyl)pyridine-4-carbonitrile (CAS 501074-85-7), with molecular formula C10H12N2S and molecular weight 192.07 g/mol. IUPAC: 2-tert-butylsulfanylpyridine-4-carbonitrile.
Chemical Property Profile of 2-(Tert-butylsulfanyl)pyridine-4-carbonitrile
Property Insights of 2-(Tert-butylsulfanyl)pyridine-4-carbonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Tert-butylsulfanyl)pyridine-4-carbonitrile. The TPSA of 62.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Tert-butylsulfanyl)pyridine-4-carbonitrile. Following Lipinski's Rule of Five, 2-(Tert-butylsulfanyl)pyridine-4-carbonitrile 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 2-(Tert-butylsulfanyl)pyridine-4-carbonitrile?
The CAS number of 2-(Tert-butylsulfanyl)pyridine-4-carbonitrile is 501074-85-7.
What is the molecular formula of 2-(Tert-butylsulfanyl)pyridine-4-carbonitrile?
The molecular formula of 2-(Tert-butylsulfanyl)pyridine-4-carbonitrile is C10H12N2S.
What is the molecular weight of 2-(Tert-butylsulfanyl)pyridine-4-carbonitrile?
The molecular weight of 2-(Tert-butylsulfanyl)pyridine-4-carbonitrile is 192.07 g/mol.
Where can I buy 2-(Tert-butylsulfanyl)pyridine-4-carbonitrile?
You can request a quote for 2-(Tert-butylsulfanyl)pyridine-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Tert-butylsulfanyl)pyridine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Tert-butylsulfanyl)pyridine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.