Propionic acid, 3-(isopropylthio)-
TL;DR: Propionic acid, 3-(isopropylthio)- (CAS 2826-91-7) is a chemical compound with molecular formula C6H12O2S and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propan-2-ylsulfanylpropanoic acid
Also Known As: 3- propanoicacid, 3-(propan-2-ylsulfanyl)propanoic acid, 3-propan-2-ylsulfanylpropanoic acid, Propionic acid, 3-(isopropylthio)-, 3-(Isopropylthio)propanoic acid
| Molecular Formula | C6H12O2S |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 148.0558 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 2826-91-7 |
|---|---|
| SMILES | CC(C)SCCC(=O)O |
| InChIKey | BSMZRZIXCAUUCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propionic acid, 3-(isopropylthio)- (CAS 2826-91-7), with molecular formula C6H12O2S and molecular weight 148.06 g/mol. IUPAC: 3-propan-2-ylsulfanylpropanoic acid.
Chemical Property Profile of Propionic acid, 3-(isopropylthio)-
Property Insights of Propionic acid, 3-(isopropylthio)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propionic acid, 3-(isopropylthio)-. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Propionic acid, 3-(isopropylthio)-. Following Lipinski's Rule of Five, Propionic acid, 3-(isopropylthio)- 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 Propionic acid, 3-(isopropylthio)-?
The CAS number of Propionic acid, 3-(isopropylthio)- is 2826-91-7.
What is the molecular formula of Propionic acid, 3-(isopropylthio)-?
The molecular formula of Propionic acid, 3-(isopropylthio)- is C6H12O2S.
What is the molecular weight of Propionic acid, 3-(isopropylthio)-?
The molecular weight of Propionic acid, 3-(isopropylthio)- is 148.06 g/mol.
Where can I buy Propionic acid, 3-(isopropylthio)-?
You can request a quote for Propionic acid, 3-(isopropylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionic acid, 3-(isopropylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Propionic acid, 3-(isopropylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.