4-Mercapto-2-butanone
TL;DR: 4-Mercapto-2-butanone (CAS 34619-12-0) is a chemical compound with molecular formula C4H8OS and molecular weight 104.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-sulfanylbutan-2-one
Also Known As: 4-Mercapto-2-butanone, 4-sulfanylbutan-2-one, 2-Keto-4-butanethiol, 2-Butanone, 4-mercapto-, Thia-4-pentanal
| Molecular Formula | C4H8OS |
|---|---|
| Molecular Weight | 104.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 104.02959 |
| Heavy Atoms | 6 |
| Complexity | 51.0 |
| Boiling Point | 59.00 to 60.00 °C. @ 15.00 mm Hg |
| Density | 0.855-0.861 |
| Refractive Index | 1.472-1.478 |
Chemical Identifiers
| CAS Number | 34619-12-0 |
|---|---|
| SMILES | CC(=O)CCS |
| InChIKey | LBFXPJUFQGXMJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Mercapto-2-butanone (CAS 34619-12-0), with molecular formula C4H8OS and molecular weight 104.03 g/mol. IUPAC: 4-sulfanylbutan-2-one.
Chemical Property Profile of 4-Mercapto-2-butanone
Property Insights of 4-Mercapto-2-butanone
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Mercapto-2-butanone. With a topological polar surface area (TPSA) of 18.1 Ų, 4-Mercapto-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Mercapto-2-butanone 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-butanone?
The CAS number of 4-Mercapto-2-butanone is 34619-12-0.
What is the molecular formula of 4-Mercapto-2-butanone?
The molecular formula of 4-Mercapto-2-butanone is C4H8OS.
What is the molecular weight of 4-Mercapto-2-butanone?
The molecular weight of 4-Mercapto-2-butanone is 104.03 g/mol.
Where can I buy 4-Mercapto-2-butanone?
You can request a quote for 4-Mercapto-2-butanone 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-butanone?
Yes, KEHONG BIO provides custom synthesis services for 4-Mercapto-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.