3-Mercaptopropionic Acid
TL;DR: 3-Mercaptopropionic Acid (CAS 107-96-0) is a chemical compound with molecular formula C3H6O2S and molecular weight 106.00885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-sulfanylpropanoic acid
Also Known As: 3-MERCAPTOPROPIONIC ACID, 3-Mercaptopropanoic acid, 3-Sulfanylpropanoic acid, 3-Thiopropanoic acid, 3-Thiopropionic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H6O2S |
| Molecular Weight | 106.00885 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 106.00885 Da |
| Heavy Atoms | 6 |
| Complexity | 52.0 |
| Melting Point | 16.8 °C |
| Boiling Point | 111 °C AT 15 MM HG |
| Density | 1.218 AT 21 °C |
| Flash Point | 93 °C |
| Vapor Pressure | 0.04 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.4911 AT 20 °C/D |
| Solubility | SOL IN WATER, ALCOHOL, BENZENE, & ETHER |
| SMILES | C(CS)C(=O)O |
| InChIKey | DKIDEFUBRARXTE-UHFFFAOYSA-N |
Chemical Property Profile of 3-Mercaptopropionic Acid
Property Insights of 3-Mercaptopropionic Acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Mercaptopropionic Acid. With a topological polar surface area (TPSA) of 38.3 Ų, 3-Mercaptopropionic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Mercaptopropionic Acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Mercaptopropionic Acid?
The CAS number of 3-Mercaptopropionic Acid is 107-96-0.
What is the molecular formula of 3-Mercaptopropionic Acid?
The molecular formula of 3-Mercaptopropionic Acid is C3H6O2S.
What is the molecular weight of 3-Mercaptopropionic Acid?
The molecular weight of 3-Mercaptopropionic Acid is 106.00885 g/mol.
Where can I buy 3-Mercaptopropionic Acid?
You can request a quote for 3-Mercaptopropionic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Mercaptopropionic Acid?
Yes, CoreyChem provides custom synthesis services for 3-Mercaptopropionic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.