S-Hexyl butanethioate
TL;DR: S-Hexyl butanethioate (CAS 2432-54-4) is a chemical compound with molecular formula C10H20OS and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-hexyl butanethioate
Also Known As: S-Hexyl butanethioate, S-Hexyl butanethioate #, Butyric acid, thio-, S-hexyl ester, Thiobutyric acid S-hexyl ester, Butanethioic acid,S-hexyl ester
| Molecular Formula | C10H20OS |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 188.12349 |
| Heavy Atoms | 12 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 2432-54-4 |
|---|---|
| SMILES | CCCCCCSC(=O)CCC |
| InChIKey | DIPGYKKPXZRHQA-UHFFFAOYSA-N |
Product Overview
S-Hexyl butanethioate (CAS 2432-54-4), with molecular formula C10H20OS and molecular weight 188.12 g/mol. IUPAC: S-hexyl butanethioate.
Chemical Property Profile of S-Hexyl butanethioate
Property Insights of S-Hexyl butanethioate
The XLogP value of 3.8 indicates that S-Hexyl butanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, S-Hexyl butanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Hexyl butanethioate 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 S-Hexyl butanethioate?
The CAS number of S-Hexyl butanethioate is 2432-54-4.
What is the molecular formula of S-Hexyl butanethioate?
The molecular formula of S-Hexyl butanethioate is C10H20OS.
What is the molecular weight of S-Hexyl butanethioate?
The molecular weight of S-Hexyl butanethioate is 188.12 g/mol.
Where can I buy S-Hexyl butanethioate?
You can request a quote for S-Hexyl butanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Hexyl butanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-Hexyl butanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.