5-Tert-butylsulfanylnicotinic acid
TL;DR: 5-Tert-butylsulfanylnicotinic acid (CAS 885685-76-7) is a chemical compound with molecular formula C10H13NO2S and molecular weight 211.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butylsulfanylpyridine-3-carboxylic acid
Also Known As: 5-(tert-butylthio)nicotinic acid, 5-tert-butylsulfanylnicotinic acid, 5-tert-butylsulfanylpyridine-3-carboxylic Acid
| Molecular Formula | C10H13NO2S |
|---|---|
| Molecular Weight | 211.07 g/mol |
| LogP | 2.6704 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.0667 |
| Heavy Atoms | 14 |
| Complexity | 344.2204 |
Chemical Identifiers
| CAS Number | 885685-76-7 |
|---|---|
| SMILES | CC(C)(C)SC1=CN=CC(=C1)C(=O)O |
Product Overview
5-Tert-butylsulfanylnicotinic acid (CAS 885685-76-7), with molecular formula C10H13NO2S and molecular weight 211.07 g/mol. IUPAC: 5-tert-butylsulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 5-Tert-butylsulfanylnicotinic acid
Property Insights of 5-Tert-butylsulfanylnicotinic acid
The XLogP value of 2.6704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Tert-butylsulfanylnicotinic acid. With a topological polar surface area (TPSA) of 50.19 Ų, 5-Tert-butylsulfanylnicotinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Tert-butylsulfanylnicotinic acid 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 5-Tert-butylsulfanylnicotinic acid?
The CAS number of 5-Tert-butylsulfanylnicotinic acid is 885685-76-7.
What is the molecular formula of 5-Tert-butylsulfanylnicotinic acid?
The molecular formula of 5-Tert-butylsulfanylnicotinic acid is C10H13NO2S.
What is the molecular weight of 5-Tert-butylsulfanylnicotinic acid?
The molecular weight of 5-Tert-butylsulfanylnicotinic acid is 211.07 g/mol.
Where can I buy 5-Tert-butylsulfanylnicotinic acid?
You can request a quote for 5-Tert-butylsulfanylnicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Tert-butylsulfanylnicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Tert-butylsulfanylnicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.