Propanoic acid, 3-(hexylthio)-
TL;DR: Propanoic acid, 3-(hexylthio)- (CAS 68298-41-9) is a chemical compound with molecular formula C9H18O2S and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hexylsulfanylpropanoic acid
Also Known As: 3-Hexylthiopropionic acid, 3-(Hexylthio)propionic acid, Propanoic acid, 3-(hexylthio)-, 3-(Hexylthio)propanoic acid, 3-hexylsulfanylpropanoic acid
| Molecular Formula | C9H18O2S |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 190.10275 |
| Heavy Atoms | 12 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 68298-41-9 |
|---|---|
| SMILES | CCCCCCSCCC(=O)O |
| InChIKey | NKECJPAGCPRNDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 3-(hexylthio)- (CAS 68298-41-9), with molecular formula C9H18O2S and molecular weight 190.10 g/mol. IUPAC: 3-hexylsulfanylpropanoic acid.
Chemical Property Profile of Propanoic acid, 3-(hexylthio)-
Property Insights of Propanoic acid, 3-(hexylthio)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-(hexylthio)-. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 3-(hexylthio)-. Following Lipinski's Rule of Five, Propanoic acid, 3-(hexylthio)- 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
Frequently Asked Questions
What is the CAS number of Propanoic acid, 3-(hexylthio)-?
The CAS number of Propanoic acid, 3-(hexylthio)- is 68298-41-9.
What is the molecular formula of Propanoic acid, 3-(hexylthio)-?
The molecular formula of Propanoic acid, 3-(hexylthio)- is C9H18O2S.
What is the molecular weight of Propanoic acid, 3-(hexylthio)-?
The molecular weight of Propanoic acid, 3-(hexylthio)- is 190.10 g/mol.
Where can I buy Propanoic acid, 3-(hexylthio)-?
You can request a quote for Propanoic acid, 3-(hexylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3-(hexylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-(hexylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.