2-benzoylsulfanylacetic Acid
TL;DR: 2-benzoylsulfanylacetic Acid (CAS 6398-74-9) is a chemical compound with molecular formula C9H8O3S and molecular weight 196.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoylsulfanylacetic acid
Also Known As: 2-benzoylsulfanylacetic Acid, 2-(benzoylthio)acetic acid, S-benzoylmercaptoacetic acid, Acetic acid, (benzoylthio)-, benzoylmercaptoacetic acid
| Molecular Formula | C9H8O3S |
|---|---|
| Molecular Weight | 196.02 g/mol |
| LogP | 1.6446 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.01941 |
| Heavy Atoms | 13 |
| Complexity | 307.89566 |
Chemical Identifiers
| CAS Number | 6398-74-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)SCC(=O)O |
Product Overview
2-benzoylsulfanylacetic Acid (CAS 6398-74-9), with molecular formula C9H8O3S and molecular weight 196.02 g/mol. IUPAC: 2-benzoylsulfanylacetic acid.
Chemical Property Profile of 2-benzoylsulfanylacetic Acid
Property Insights of 2-benzoylsulfanylacetic Acid
The XLogP value of 1.6446 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-benzoylsulfanylacetic Acid. With a topological polar surface area (TPSA) of 54.37 Ų, 2-benzoylsulfanylacetic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-benzoylsulfanylacetic 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-benzoylsulfanylacetic Acid?
The CAS number of 2-benzoylsulfanylacetic Acid is 6398-74-9.
What is the molecular formula of 2-benzoylsulfanylacetic Acid?
The molecular formula of 2-benzoylsulfanylacetic Acid is C9H8O3S.
What is the molecular weight of 2-benzoylsulfanylacetic Acid?
The molecular weight of 2-benzoylsulfanylacetic Acid is 196.02 g/mol.
Where can I buy 2-benzoylsulfanylacetic Acid?
You can request a quote for 2-benzoylsulfanylacetic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-benzoylsulfanylacetic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-benzoylsulfanylacetic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.