3-Mercapto-2-pentanone
TL;DR: 3-Mercapto-2-pentanone (CAS 67633-97-0) 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.
3-sulfanylpentan-2-one
Also Known As: 3-Mercapto-2-pentanone, 3-sulfanylpentan-2-one, 2-Pentanone, 3-mercapto-, 3-Mercaptopentan-2-one, null
| Molecular Formula | C5H10OS |
|---|---|
| Molecular Weight | 118.05 g/mol |
| LogP | 1.2 |
| 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 |
| Boiling Point | 160.00 to 165.00 °C. @ 760.00 mm Hg |
| Density | 0.988-0.998 |
| Solubility | insoluble in water; miscible in alcohol |
| Refractive Index | 1.414-1.424 |
Chemical Identifiers
| CAS Number | 67633-97-0 |
|---|---|
| SMILES | CCC(C(=O)C)S |
| InChIKey | SZECUQRKLXRGSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Mercapto-2-pentanone (CAS 67633-97-0), with molecular formula C5H10OS and molecular weight 118.05 g/mol. IUPAC: 3-sulfanylpentan-2-one.
Chemical Property Profile of 3-Mercapto-2-pentanone
Property Insights of 3-Mercapto-2-pentanone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Mercapto-2-pentanone. With a topological polar surface area (TPSA) of 18.1 Ų, 3-Mercapto-2-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Mercapto-2-pentanone?
The CAS number of 3-Mercapto-2-pentanone is 67633-97-0.
What is the molecular formula of 3-Mercapto-2-pentanone?
The molecular formula of 3-Mercapto-2-pentanone is C5H10OS.
What is the molecular weight of 3-Mercapto-2-pentanone?
The molecular weight of 3-Mercapto-2-pentanone is 118.05 g/mol.
Where can I buy 3-Mercapto-2-pentanone?
You can request a quote for 3-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 3-Mercapto-2-pentanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Mercapto-2-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.