Propanethioic acid, S-pentyl ester
TL;DR: Propanethioic acid, S-pentyl ester (CAS 2602-64-4) is a chemical compound with molecular formula C8H16OS and molecular weight 160.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-pentyl propanethioate
Also Known As: S-Pentyl propanethioate, Propanethioic acid, S-pentyl ester, S-Pentyl propanethioate #, Propionic acid, thio-, S-pentyl ester, Propanethioic acid S-pentyl ester
| Molecular Formula | C8H16OS |
|---|---|
| Molecular Weight | 160.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 160.0922 |
| Heavy Atoms | 10 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 2602-64-4 |
|---|---|
| SMILES | CCCCCSC(=O)CC |
| InChIKey | QWQQABHFUJEFNJ-UHFFFAOYSA-N |
Product Overview
Propanethioic acid, S-pentyl ester (CAS 2602-64-4), with molecular formula C8H16OS and molecular weight 160.09 g/mol. IUPAC: S-pentyl propanethioate.
Chemical Property Profile of Propanethioic acid, S-pentyl ester
Property Insights of Propanethioic acid, S-pentyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanethioic acid, S-pentyl ester. With a topological polar surface area (TPSA) of 42.4 Ų, Propanethioic acid, S-pentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanethioic acid, S-pentyl 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 Propanethioic acid, S-pentyl ester?
The CAS number of Propanethioic acid, S-pentyl ester is 2602-64-4.
What is the molecular formula of Propanethioic acid, S-pentyl ester?
The molecular formula of Propanethioic acid, S-pentyl ester is C8H16OS.
What is the molecular weight of Propanethioic acid, S-pentyl ester?
The molecular weight of Propanethioic acid, S-pentyl ester is 160.09 g/mol.
Where can I buy Propanethioic acid, S-pentyl ester?
You can request a quote for Propanethioic acid, S-pentyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanethioic acid, S-pentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanethioic acid, S-pentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.