2-tert-Butylsulfanyl-benzoic acid
TL;DR: 2-tert-Butylsulfanyl-benzoic acid (CAS 7611-60-1) is a chemical compound with molecular formula C11H14O2S and molecular weight 210.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylsulfanylbenzoic acid
Also Known As: 2-tert-Butylsulfanyl-benzoic acid, 2-tert-butylsulfanylbenzoic acid, 2-(tert-Butylthio)benzoic acid, 2-(tert-Butylthio)benzoicacid, 2-tert-Butylsulfanylbenzoicacid
| Molecular Formula | C11H14O2S |
|---|---|
| Molecular Weight | 210.07 g/mol |
| LogP | 3.2754 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.07146 |
| Heavy Atoms | 14 |
| Complexity | 339.38593 |
Chemical Identifiers
| CAS Number | 7611-60-1 |
|---|---|
| SMILES | CC(C)(C)SC1=CC=CC=C1C(=O)O |
Product Overview
2-tert-Butylsulfanyl-benzoic acid (CAS 7611-60-1), with molecular formula C11H14O2S and molecular weight 210.07 g/mol. IUPAC: 2-tert-butylsulfanylbenzoic acid.
Chemical Property Profile of 2-tert-Butylsulfanyl-benzoic acid
Property Insights of 2-tert-Butylsulfanyl-benzoic acid
The XLogP value of 3.2754 indicates that 2-tert-Butylsulfanyl-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-tert-Butylsulfanyl-benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-Butylsulfanyl-benzoic acid has 1 hydrogen bond donor(s) and 2 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-benzoic acid?
The CAS number of 2-tert-Butylsulfanyl-benzoic acid is 7611-60-1.
What is the molecular formula of 2-tert-Butylsulfanyl-benzoic acid?
The molecular formula of 2-tert-Butylsulfanyl-benzoic acid is C11H14O2S.
What is the molecular weight of 2-tert-Butylsulfanyl-benzoic acid?
The molecular weight of 2-tert-Butylsulfanyl-benzoic acid is 210.07 g/mol.
Where can I buy 2-tert-Butylsulfanyl-benzoic acid?
You can request a quote for 2-tert-Butylsulfanyl-benzoic acid 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-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-Butylsulfanyl-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.