3-(Methylthio)propanoic acid
TL;DR: 3-(Methylthio)propanoic acid (CAS 646-01-5) is a chemical compound with molecular formula C4H8O2S and molecular weight 120.0245 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylsulfanylpropanoic acid
Also Known As: 3-(Methylthio)propionic acid, 3-methylthiopropionate, 4-Thiapentanoic acid, 3-methylthiopropionic acid, 3-(Methylthio)propanoic acid
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8O2S |
| Molecular Weight | 120.0245 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 120.0245 Da |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
| Boiling Point | 244.00 to 247.00 °C. @ 760.00 mm Hg |
| SMILES | CSCCC(=O)O |
| InChIKey | CAOMCZAIALVUPA-UHFFFAOYSA-N |
Product Description
Applications: 3-(Methylthio)propanoic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-(Methylthio)propanoic acid (CAS 646-01-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3-(Methylthio)propanoic acid is a pharmaceutical intermediate identified by CAS number 646-01-5 and the molecular formula C4H8O2S and a molecular weight of 120.02 g/mol. It is also known as 3-(Methylthio)propionic acid and 3-methylthiopropionate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-(Methylthio)propanoic acid
Property Insights of 3-(Methylthio)propanoic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylthio)propanoic acid. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methylthio)propanoic acid. Following Lipinski's Rule of Five, 3-(Methylthio)propanoic 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
What is the CAS number of 3-(Methylthio)propanoic acid?
The CAS number of 3-(Methylthio)propanoic acid is 646-01-5.
What is the molecular formula of 3-(Methylthio)propanoic acid?
The molecular formula of 3-(Methylthio)propanoic acid is C4H8O2S.
What is the molecular weight of 3-(Methylthio)propanoic acid?
The molecular weight of 3-(Methylthio)propanoic acid is 120.0245 g/mol.
What are the applications of 3-(Methylthio)propanoic acid?
3-(Methylthio)propanoic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-(Methylthio)propanoic...
Where can I buy 3-(Methylthio)propanoic acid?
You can request a quote for 3-(Methylthio)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Methylthio)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(Methylthio)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.