2-(Isopropylthio)benzoic acid
TL;DR: 2-(Isopropylthio)benzoic acid (CAS 41394-95-0) is a chemical compound with molecular formula C10H12O2S and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-ylsulfanylbenzoic acid
Also Known As: 2-(isopropylthio)benzoic acid, 2-(Isopropylsulfanyl)benzoic acid, 2-(propan-2-ylsulfanyl)benzoic acid, 2-propan-2-ylsulfanylbenzoic Acid, 2-(methylethylthio)benzoic acid
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.8853 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 307.54797 |
Chemical Identifiers
| CAS Number | 41394-95-0 |
|---|---|
| SMILES | CC(C)SC1=CC=CC=C1C(=O)O |
Product Overview
2-(Isopropylthio)benzoic acid (CAS 41394-95-0), with molecular formula C10H12O2S and molecular weight 196.06 g/mol. IUPAC: 2-propan-2-ylsulfanylbenzoic acid.
Chemical Property Profile of 2-(Isopropylthio)benzoic acid
Property Insights of 2-(Isopropylthio)benzoic acid
The XLogP value of 2.8853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Isopropylthio)benzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(Isopropylthio)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Isopropylthio)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-(Isopropylthio)benzoic acid?
The CAS number of 2-(Isopropylthio)benzoic acid is 41394-95-0.
What is the molecular formula of 2-(Isopropylthio)benzoic acid?
The molecular formula of 2-(Isopropylthio)benzoic acid is C10H12O2S.
What is the molecular weight of 2-(Isopropylthio)benzoic acid?
The molecular weight of 2-(Isopropylthio)benzoic acid is 196.06 g/mol.
Where can I buy 2-(Isopropylthio)benzoic acid?
You can request a quote for 2-(Isopropylthio)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-(Isopropylthio)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Isopropylthio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.