Propanoic acid, 3-(hexylthio)-, methyl ester
TL;DR: Propanoic acid, 3-(hexylthio)-, methyl ester (CAS 67859-54-5) is a chemical compound with molecular formula C10H20O2S and molecular weight 204.11841 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-hexylsulfanylpropanoate
Also Known As: Methyl 3-(hexylthio)propionate, methyl 3-(hexylsulfanyl)propanoate, methyl 3-hexylsulfanylpropanoate, 3-hexylsulfanyl-propionic acid methyl ester, Propanoic acid, 3-(hexylthio)-, methyl ester
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H20O2S |
| Molecular Weight | 204.11841 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 204.11841 Da |
| Heavy Atoms | 13 |
| Complexity | 126.0 |
| SMILES | CCCCCCSCCC(=O)OC |
| InChIKey | WPTNLVDNPQJRAQ-UHFFFAOYSA-N |
Chemical Property Profile of Propanoic acid, 3-(hexylthio)-, methyl ester
Property Insights of Propanoic acid, 3-(hexylthio)-, methyl ester
The XLogP value of 3.0 indicates that Propanoic acid, 3-(hexylthio)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Propanoic acid, 3-(hexylthio)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 3-(hexylthio)-, methyl ester has 0 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 Propanoic acid, 3-(hexylthio)-, methyl ester?
The CAS number of Propanoic acid, 3-(hexylthio)-, methyl ester is 67859-54-5.
What is the molecular formula of Propanoic acid, 3-(hexylthio)-, methyl ester?
The molecular formula of Propanoic acid, 3-(hexylthio)-, methyl ester is C10H20O2S.
What is the molecular weight of Propanoic acid, 3-(hexylthio)-, methyl ester?
The molecular weight of Propanoic acid, 3-(hexylthio)-, methyl ester is 204.11841 g/mol.
Where can I buy Propanoic acid, 3-(hexylthio)-, methyl ester?
You can request a quote for Propanoic acid, 3-(hexylthio)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propanoic acid, 3-(hexylthio)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Propanoic acid, 3-(hexylthio)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.