Hexanethioic acid S-propyl ester
TL;DR: Hexanethioic acid S-propyl ester (CAS 2432-78-2) is a chemical compound with molecular formula C9H18OS and molecular weight 174.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-propyl hexanethioate
Also Known As: S-Propyl hexanethioate, Hexanethioic acid S-propyl ester, HexanethioicacidS-propylester, 1-(propylsulfanyl)hexan-1-one, S-Propyl hexanethioate #
| Molecular Formula | C9H18OS |
|---|---|
| Molecular Weight | 174.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.10783 |
| Heavy Atoms | 11 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 2432-78-2 |
|---|---|
| SMILES | CCCCCC(=O)SCCC |
| InChIKey | XWEXGRZJPGGXCY-UHFFFAOYSA-N |
Product Overview
Hexanethioic acid S-propyl ester (CAS 2432-78-2), with molecular formula C9H18OS and molecular weight 174.11 g/mol. IUPAC: S-propyl hexanethioate.
Chemical Property Profile of Hexanethioic acid S-propyl ester
Property Insights of Hexanethioic acid S-propyl ester
The XLogP value of 3.5 indicates that Hexanethioic acid S-propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, Hexanethioic acid S-propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanethioic acid S-propyl ester has 0 hydrogen bond donor(s) and 2 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 Hexanethioic acid S-propyl ester?
The CAS number of Hexanethioic acid S-propyl ester is 2432-78-2.
What is the molecular formula of Hexanethioic acid S-propyl ester?
The molecular formula of Hexanethioic acid S-propyl ester is C9H18OS.
What is the molecular weight of Hexanethioic acid S-propyl ester?
The molecular weight of Hexanethioic acid S-propyl ester is 174.11 g/mol.
Where can I buy Hexanethioic acid S-propyl ester?
You can request a quote for Hexanethioic acid S-propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanethioic acid S-propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanethioic acid S-propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.