2-But-2-enylsulfanylbenzoic acid
TL;DR: 2-But-2-enylsulfanylbenzoic acid (CAS 19698-44-3) is a chemical compound with molecular formula C11H12O2S and molecular weight 208.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-but-2-enylsulfanylbenzoic acid
Also Known As: NCIOpen2_006775, 2-but-2-enylsulfanylbenzoic acid, 2-(but-2-en-1-ylsulfanyl)benzoic acid, 2-[(E)-but-2-enyl]sulfanylbenzoic acid
| Molecular Formula | C11H12O2S |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.0558 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 19698-44-3 |
|---|---|
| SMILES | CC=CCSC1=CC=CC=C1C(=O)O |
| InChIKey | YBWQPCUHQIMZPI-UHFFFAOYSA-N |
Product Overview
2-But-2-enylsulfanylbenzoic acid (CAS 19698-44-3), with molecular formula C11H12O2S and molecular weight 208.06 g/mol. IUPAC: 2-but-2-enylsulfanylbenzoic acid.
Chemical Property Profile of 2-But-2-enylsulfanylbenzoic acid
Property Insights of 2-But-2-enylsulfanylbenzoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-But-2-enylsulfanylbenzoic acid. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-But-2-enylsulfanylbenzoic acid. Following Lipinski's Rule of Five, 2-But-2-enylsulfanylbenzoic 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 2-But-2-enylsulfanylbenzoic acid?
The CAS number of 2-But-2-enylsulfanylbenzoic acid is 19698-44-3.
What is the molecular formula of 2-But-2-enylsulfanylbenzoic acid?
The molecular formula of 2-But-2-enylsulfanylbenzoic acid is C11H12O2S.
What is the molecular weight of 2-But-2-enylsulfanylbenzoic acid?
The molecular weight of 2-But-2-enylsulfanylbenzoic acid is 208.06 g/mol.
Where can I buy 2-But-2-enylsulfanylbenzoic acid?
You can request a quote for 2-But-2-enylsulfanylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-But-2-enylsulfanylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-But-2-enylsulfanylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.