3-Methylthiopropionic acid
TL;DR: 3-Methylthiopropionic acid (CAS 3931-64-4) is a chemical compound with molecular formula C4H8OS and molecular weight 104.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butanethioic S-acid
Also Known As: thiobutyric acid, butanethioic S-acid, butanoic acid, palmitic acid, thiolobutyric acid
| Molecular Formula | C4H8OS |
|---|---|
| Molecular Weight | 104.03 g/mol |
| LogP | 1.2429 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 104.02959 |
| Heavy Atoms | 6 |
| Complexity | 51.509773 |
Chemical Identifiers
| CAS Number | 3931-64-4 |
|---|---|
| SMILES | CCCC(=O)S |
Product Overview
3-Methylthiopropionic acid (CAS 3931-64-4), with molecular formula C4H8OS and molecular weight 104.03 g/mol. IUPAC: butanethioic S-acid.
Chemical Property Profile of 3-Methylthiopropionic acid
Property Insights of 3-Methylthiopropionic acid
The XLogP value of 1.2429 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylthiopropionic acid. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Methylthiopropionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylthiopropionic acid has 1 hydrogen bond donor(s) and 1 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 3-Methylthiopropionic acid?
The CAS number of 3-Methylthiopropionic acid is 3931-64-4.
What is the molecular formula of 3-Methylthiopropionic acid?
The molecular formula of 3-Methylthiopropionic acid is C4H8OS.
What is the molecular weight of 3-Methylthiopropionic acid?
The molecular weight of 3-Methylthiopropionic acid is 104.03 g/mol.
Where can I buy 3-Methylthiopropionic acid?
You can request a quote for 3-Methylthiopropionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylthiopropionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylthiopropionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.