Acetic acid, thio-, S-hexyl ester
TL;DR: Acetic acid, thio-, S-hexyl ester (CAS 2307-12-2) 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-hexyl ethanethioate
Also Known As: acetylhexyl sulfide, S-Hexyl ethanethioate, S-Hexyl ethanethioate #, Thioacetic acid S-hexyl ester, 1-(hexylsulfanyl)ethan-1-one
| Molecular Formula | C8H16OS |
|---|---|
| Molecular Weight | 160.09 g/mol |
| LogP | 3.0 |
| 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 | 2307-12-2 |
|---|---|
| SMILES | CCCCCCSC(=O)C |
| InChIKey | UVOBMCVOACVTNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, thio-, S-hexyl ester (CAS 2307-12-2), with molecular formula C8H16OS and molecular weight 160.09 g/mol. IUPAC: S-hexyl ethanethioate.
Chemical Property Profile of Acetic acid, thio-, S-hexyl ester
Property Insights of Acetic acid, thio-, S-hexyl ester
The XLogP value of 3.0 indicates that Acetic acid, thio-, S-hexyl 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, Acetic acid, thio-, S-hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, thio-, S-hexyl 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 Acetic acid, thio-, S-hexyl ester?
The CAS number of Acetic acid, thio-, S-hexyl ester is 2307-12-2.
What is the molecular formula of Acetic acid, thio-, S-hexyl ester?
The molecular formula of Acetic acid, thio-, S-hexyl ester is C8H16OS.
What is the molecular weight of Acetic acid, thio-, S-hexyl ester?
The molecular weight of Acetic acid, thio-, S-hexyl ester is 160.09 g/mol.
Where can I buy Acetic acid, thio-, S-hexyl ester?
You can request a quote for Acetic acid, thio-, S-hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, thio-, S-hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, thio-, S-hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.