Hexanethioic acid, S-heptyl ester
TL;DR: Hexanethioic acid, S-heptyl ester (CAS 2432-80-6) is a chemical compound with molecular formula C13H26OS and molecular weight 230.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-heptyl hexanethioate
Also Known As: S-Heptyl hexanethioate, S-Heptyl hexanethioate #, HexanethioicacidS-heptylester, 1-(heptylsulfanyl)hexan-1-one, Hexanethioic acid S-heptyl ester
| Molecular Formula | C13H26OS |
|---|---|
| Molecular Weight | 230.17 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 230.17044 |
| Heavy Atoms | 15 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 2432-80-6 |
|---|---|
| SMILES | CCCCCCCSC(=O)CCCCC |
| InChIKey | JZFFMHQZULRJGY-UHFFFAOYSA-N |
Product Overview
Hexanethioic acid, S-heptyl ester (CAS 2432-80-6), with molecular formula C13H26OS and molecular weight 230.17 g/mol. IUPAC: S-heptyl hexanethioate.
Chemical Property Profile of Hexanethioic acid, S-heptyl ester
Property Insights of Hexanethioic acid, S-heptyl ester
The XLogP value of 5.4 indicates that Hexanethioic acid, S-heptyl 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-heptyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanethioic acid, S-heptyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexanethioic acid, S-heptyl ester?
The CAS number of Hexanethioic acid, S-heptyl ester is 2432-80-6.
What is the molecular formula of Hexanethioic acid, S-heptyl ester?
The molecular formula of Hexanethioic acid, S-heptyl ester is C13H26OS.
What is the molecular weight of Hexanethioic acid, S-heptyl ester?
The molecular weight of Hexanethioic acid, S-heptyl ester is 230.17 g/mol.
Where can I buy Hexanethioic acid, S-heptyl ester?
You can request a quote for Hexanethioic acid, S-heptyl 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-heptyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanethioic acid, S-heptyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.