3-(Methylthio)penta-2,4-dione
TL;DR: 3-(Methylthio)penta-2,4-dione (CAS 32113-68-1) is a chemical compound with molecular formula C6H10O2S and molecular weight 146.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanylpentane-2,4-dione
Also Known As: 3-(Methylthio)penta-2,4-dione, 3-Methylthio-2,4-pentanedione, 3-methylsulfanyl-pentane-2,4-dione, 3-methylsulfanylpentane-2,4-dione, 3-(methylsulfanyl)pentane-2,4-dione
| Molecular Formula | C6H10O2S |
|---|---|
| Molecular Weight | 146.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 146.04015 |
| Heavy Atoms | 9 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 32113-68-1 |
|---|---|
| SMILES | CC(=O)C(C(=O)C)SC |
| InChIKey | HTVGCUNUQZCFAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Methylthio)penta-2,4-dione (CAS 32113-68-1), with molecular formula C6H10O2S and molecular weight 146.04 g/mol. IUPAC: 3-methylsulfanylpentane-2,4-dione.
Chemical Property Profile of 3-(Methylthio)penta-2,4-dione
Property Insights of 3-(Methylthio)penta-2,4-dione
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylthio)penta-2,4-dione. With a topological polar surface area (TPSA) of 59.4 Ų, 3-(Methylthio)penta-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methylthio)penta-2,4-dione has 0 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-(Methylthio)penta-2,4-dione?
The CAS number of 3-(Methylthio)penta-2,4-dione is 32113-68-1.
What is the molecular formula of 3-(Methylthio)penta-2,4-dione?
The molecular formula of 3-(Methylthio)penta-2,4-dione is C6H10O2S.
What is the molecular weight of 3-(Methylthio)penta-2,4-dione?
The molecular weight of 3-(Methylthio)penta-2,4-dione is 146.04 g/mol.
Where can I buy 3-(Methylthio)penta-2,4-dione?
You can request a quote for 3-(Methylthio)penta-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylthio)penta-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylthio)penta-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.