4-Mercapto-2-pentanone
TL;DR: 4-Mercapto-2-pentanone (CAS 92585-08-5) is a chemical compound with molecular formula C5H10OS and molecular weight 118.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-sulfanylpentan-2-one
Also Known As: 4-MERCAPTO-2-PENTANONE, 4-Mercaptopentan-2-one, 4-sulfanylpentan-2-one, 2-Mercapto-4-pentanone, 4-Mercaptopentan-2-ol
| Molecular Formula | C5H10OS |
|---|---|
| Molecular Weight | 118.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 118.045235 |
| Heavy Atoms | 7 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 92585-08-5 |
|---|---|
| SMILES | CC(CC(=O)C)S |
| InChIKey | KHIPEWLRUGVKIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Mercapto-2-pentanone (CAS 92585-08-5), with molecular formula C5H10OS and molecular weight 118.05 g/mol. IUPAC: 4-sulfanylpentan-2-one.
Chemical Property Profile of 4-Mercapto-2-pentanone
Property Insights of 4-Mercapto-2-pentanone
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Mercapto-2-pentanone. With a topological polar surface area (TPSA) of 18.1 Ų, 4-Mercapto-2-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Mercapto-2-pentanone has 1 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 4-Mercapto-2-pentanone?
The CAS number of 4-Mercapto-2-pentanone is 92585-08-5.
What is the molecular formula of 4-Mercapto-2-pentanone?
The molecular formula of 4-Mercapto-2-pentanone is C5H10OS.
What is the molecular weight of 4-Mercapto-2-pentanone?
The molecular weight of 4-Mercapto-2-pentanone is 118.05 g/mol.
Where can I buy 4-Mercapto-2-pentanone?
You can request a quote for 4-Mercapto-2-pentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Mercapto-2-pentanone?
Yes, KEHONG BIO provides custom synthesis services for 4-Mercapto-2-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.