4-Oxopentanethioic acid
TL;DR: 4-Oxopentanethioic acid (CAS 713482-47-4) is a chemical compound with molecular formula C5H8O2S and molecular weight 132.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxopentanethioic S-acid
Also Known As: 4-Oxopentanethioic acid, 3-acetylthiopropionic acid, 3-Acetylthiopropanoic acid, 4-Oxopentanethioic S-acid, 4-Oxopentanethioic S-acid #
| Molecular Formula | C5H8O2S |
|---|---|
| Molecular Weight | 132.02 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 35.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.0245 |
| Heavy Atoms | 8 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 713482-47-4 |
|---|---|
| SMILES | CC(=O)CCC(=O)S |
| InChIKey | ZGVDOBRDNWJNDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Oxopentanethioic acid (CAS 713482-47-4), with molecular formula C5H8O2S and molecular weight 132.02 g/mol. IUPAC: 4-oxopentanethioic S-acid.
Chemical Property Profile of 4-Oxopentanethioic acid
Property Insights of 4-Oxopentanethioic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxopentanethioic acid. With a topological polar surface area (TPSA) of 35.1 Ų, 4-Oxopentanethioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxopentanethioic 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 4-Oxopentanethioic acid?
The CAS number of 4-Oxopentanethioic acid is 713482-47-4.
What is the molecular formula of 4-Oxopentanethioic acid?
The molecular formula of 4-Oxopentanethioic acid is C5H8O2S.
What is the molecular weight of 4-Oxopentanethioic acid?
The molecular weight of 4-Oxopentanethioic acid is 132.02 g/mol.
Where can I buy 4-Oxopentanethioic acid?
You can request a quote for 4-Oxopentanethioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxopentanethioic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxopentanethioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.