3-P-Tolylsulfanyl-pentane-2,4-dione
TL;DR: 3-P-Tolylsulfanyl-pentane-2,4-dione (CAS 39185-59-6) is a chemical compound with molecular formula C12H14O2S and molecular weight 222.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)sulfanylpentane-2,4-dione
Also Known As: 3-(p-Tolylthio)-2,4-pentanedione, 3-(4-methylphenylthio)-2,4-pentanedione, 3-[(4-methylphenyl)sulfanyl]pentane-2,4-dione, 3-[(4-Methylphenyl)thio]pentane-2,4-dione, 3-P-TOLYLSULFANYL-PENTANE-2,4-DIONE
| Molecular Formula | C12H14O2S |
|---|---|
| Molecular Weight | 222.07 g/mol |
| LogP | 2.63372 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.07146 |
| Heavy Atoms | 15 |
| Complexity | 353.71344 |
Chemical Identifiers
| CAS Number | 39185-59-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(C(=O)C)C(=O)C |
Product Overview
3-P-Tolylsulfanyl-pentane-2,4-dione (CAS 39185-59-6), with molecular formula C12H14O2S and molecular weight 222.07 g/mol. IUPAC: 3-(4-methylphenyl)sulfanylpentane-2,4-dione.
Chemical Property Profile of 3-P-Tolylsulfanyl-pentane-2,4-dione
Property Insights of 3-P-Tolylsulfanyl-pentane-2,4-dione
The XLogP value of 2.63372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-P-Tolylsulfanyl-pentane-2,4-dione. With a topological polar surface area (TPSA) of 34.14 Ų, 3-P-Tolylsulfanyl-pentane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-P-Tolylsulfanyl-pentane-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-P-Tolylsulfanyl-pentane-2,4-dione?
The CAS number of 3-P-Tolylsulfanyl-pentane-2,4-dione is 39185-59-6.
What is the molecular formula of 3-P-Tolylsulfanyl-pentane-2,4-dione?
The molecular formula of 3-P-Tolylsulfanyl-pentane-2,4-dione is C12H14O2S.
What is the molecular weight of 3-P-Tolylsulfanyl-pentane-2,4-dione?
The molecular weight of 3-P-Tolylsulfanyl-pentane-2,4-dione is 222.07 g/mol.
Where can I buy 3-P-Tolylsulfanyl-pentane-2,4-dione?
You can request a quote for 3-P-Tolylsulfanyl-pentane-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-P-Tolylsulfanyl-pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-P-Tolylsulfanyl-pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.