Sec-butyl thiohexanoate
TL;DR: Sec-butyl thiohexanoate (CAS 2432-79-3) 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-butan-2-yl hexanethioate
Also Known As: S-butan-2-yl hexanethioate, S-Butyl hexanethioate, SEC-BUTYL THIOHEXANOATE, S-(Butan-2-yl) hexanethioate
| Molecular Formula | C10H20OS |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 188.12349 |
| Heavy Atoms | 12 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 2432-79-3 |
|---|---|
| SMILES | CCCCCC(=O)SC(C)CC |
| InChIKey | DULPHMZIKOTNJW-UHFFFAOYSA-N |
Product Overview
Sec-butyl thiohexanoate (CAS 2432-79-3), with molecular formula C10H20OS and molecular weight 188.12 g/mol. IUPAC: S-butan-2-yl hexanethioate.
Chemical Property Profile of Sec-butyl thiohexanoate
Property Insights of Sec-butyl thiohexanoate
The XLogP value of 3.9 indicates that Sec-butyl thiohexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, Sec-butyl thiohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sec-butyl thiohexanoate 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 Sec-butyl thiohexanoate?
The CAS number of Sec-butyl thiohexanoate is 2432-79-3.
What is the molecular formula of Sec-butyl thiohexanoate?
The molecular formula of Sec-butyl thiohexanoate is C10H20OS.
What is the molecular weight of Sec-butyl thiohexanoate?
The molecular weight of Sec-butyl thiohexanoate is 188.12 g/mol.
Where can I buy Sec-butyl thiohexanoate?
You can request a quote for Sec-butyl thiohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sec-butyl thiohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Sec-butyl thiohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.