3-Sulfanylhexyl acetate
TL;DR: 3-Sulfanylhexyl acetate (CAS 145937-71-9) is a chemical compound with molecular formula C8H16O2S and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanylhexyl acetate
Also Known As: 3-Mercaptohexyl acetate, 3-Sulfanylhexyl acetate, 3-thiohexyl acetate, Hexane-3-thiol acetate, 1-Hexanol, 3-mercapto-, 1-acetate
| Molecular Formula | C8H16O2S |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 176.0871 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 145937-71-9 |
|---|---|
| SMILES | CCCC(CCOC(=O)C)S |
| InChIKey | JUCARGIKESIVLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Sulfanylhexyl acetate (CAS 145937-71-9), with molecular formula C8H16O2S and molecular weight 176.09 g/mol. IUPAC: 3-sulfanylhexyl acetate.
Chemical Property Profile of 3-Sulfanylhexyl acetate
Property Insights of 3-Sulfanylhexyl acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Sulfanylhexyl acetate. With a topological polar surface area (TPSA) of 27.3 Ų, 3-Sulfanylhexyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Sulfanylhexyl acetate has 1 hydrogen bond donor(s) and 3 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 3-Sulfanylhexyl acetate?
The CAS number of 3-Sulfanylhexyl acetate is 145937-71-9.
What is the molecular formula of 3-Sulfanylhexyl acetate?
The molecular formula of 3-Sulfanylhexyl acetate is C8H16O2S.
What is the molecular weight of 3-Sulfanylhexyl acetate?
The molecular weight of 3-Sulfanylhexyl acetate is 176.09 g/mol.
Where can I buy 3-Sulfanylhexyl acetate?
You can request a quote for 3-Sulfanylhexyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Sulfanylhexyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Sulfanylhexyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.