2-Chloro-4-methylthiobutanoic acid
TL;DR: 2-Chloro-4-methylthiobutanoic acid (CAS 163401-68-1) is a chemical compound with molecular formula C5H9ClOS and molecular weight 152.00627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloropentanethioic S-acid
Also Known As: 2-chloropentanethioic S-acid, 2-Chloro-4-methylthiobutanoic acid, 2-Cl-4-MTBA, Butanoic acid,2-chloro-4-(methylthio), 2-CHLORO-4-METHYLTHIOBUTANOICACID
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H9ClOS |
| Molecular Weight | 152.00627 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.00627 Da |
| Heavy Atoms | 8 |
| Complexity | 84.0 |
| SMILES | CCCC(C(=O)S)Cl |
| InChIKey | UERWBAKOACKYSH-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-4-methylthiobutanoic acid
Property Insights of 2-Chloro-4-methylthiobutanoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-methylthiobutanoic acid. With a topological polar surface area (TPSA) of 18.1 Ų, 2-Chloro-4-methylthiobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-methylthiobutanoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Chloro-4-methylthiobutanoic acid?
The CAS number of 2-Chloro-4-methylthiobutanoic acid is 163401-68-1.
What is the molecular formula of 2-Chloro-4-methylthiobutanoic acid?
The molecular formula of 2-Chloro-4-methylthiobutanoic acid is C5H9ClOS.
What is the molecular weight of 2-Chloro-4-methylthiobutanoic acid?
The molecular weight of 2-Chloro-4-methylthiobutanoic acid is 152.00627 g/mol.
Where can I buy 2-Chloro-4-methylthiobutanoic acid?
You can request a quote for 2-Chloro-4-methylthiobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-4-methylthiobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-4-methylthiobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.