![3-{[4-(2-Thienyl)-2-pyrimidinyl]sulfanyl}-2,4-pentanedione structure](/static/products/6922/692287-24-4.webp)
3-{[4-(2-Thienyl)-2-pyrimidinyl]sulfanyl}-2,4-pentanedione
TL;DR: 3-{[4-(2-Thienyl)-2-pyrimidinyl]sulfanyl}-2,4-pentanedione (CAS 692287-24-4) is a chemical compound with molecular formula C13H12N2O2S2 and molecular weight 292.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylpentane-2,4-dione
Also Known As: 3-{[4-(2-thienyl)-2-pyrimidinyl]sulfanyl}-2,4-pentanedione, 3-{[4-(thiophen-2-yl)pyrimidin-2-yl]sulfanyl}pentane-2,4-dione, 3-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylpentane-2,4-dione, 3-[4-(2-thienyl)pyrimidin-2-yl]sulfanylpentane-2,4-dione
| Molecular Formula | C13H12N2O2S2 |
|---|---|
| Molecular Weight | 292.03 g/mol |
| LogP | 2.8438 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.03403 |
| Heavy Atoms | 19 |
| Complexity | 582.4505 |
Chemical Identifiers
| CAS Number | 692287-24-4 |
|---|---|
| SMILES | CC(=O)C(C(=O)C)SC1=NC=CC(=N1)C2=CC=CS2 |
Product Overview
3-{[4-(2-Thienyl)-2-pyrimidinyl]sulfanyl}-2,4-pentanedione (CAS 692287-24-4), with molecular formula C13H12N2O2S2 and molecular weight 292.03 g/mol. IUPAC: 3-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylpentane-2,4-dione.
Chemical Property Profile of 3-{[4-(2-Thienyl)-2-pyrimidinyl]sulfanyl}-2,4-pentanedione
Property Insights of 3-{[4-(2-Thienyl)-2-pyrimidinyl]sulfanyl}-2,4-pentanedione
The XLogP value of 2.8438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[4-(2-Thienyl)-2-pyrimidinyl]sulfanyl}-2,4-pentanedione. With a topological polar surface area (TPSA) of 59.92 Ų, 3-{[4-(2-Thienyl)-2-pyrimidinyl]sulfanyl}-2,4-pentanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[4-(2-Thienyl)-2-pyrimidinyl]sulfanyl}-2,4-pentanedione has 0 hydrogen bond donor(s) and 6 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-{[4-(2-Thienyl)-2-pyrimidinyl]sulfanyl}-2,4-pentanedione?
The CAS number of 3-{[4-(2-Thienyl)-2-pyrimidinyl]sulfanyl}-2,4-pentanedione is 692287-24-4.
What is the molecular formula of 3-{[4-(2-Thienyl)-2-pyrimidinyl]sulfanyl}-2,4-pentanedione?
The molecular formula of 3-{[4-(2-Thienyl)-2-pyrimidinyl]sulfanyl}-2,4-pentanedione is C13H12N2O2S2.
What is the molecular weight of 3-{[4-(2-Thienyl)-2-pyrimidinyl]sulfanyl}-2,4-pentanedione?
The molecular weight of 3-{[4-(2-Thienyl)-2-pyrimidinyl]sulfanyl}-2,4-pentanedione is 292.03 g/mol.
Where can I buy 3-{[4-(2-Thienyl)-2-pyrimidinyl]sulfanyl}-2,4-pentanedione?
You can request a quote for 3-{[4-(2-Thienyl)-2-pyrimidinyl]sulfanyl}-2,4-pentanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[4-(2-Thienyl)-2-pyrimidinyl]sulfanyl}-2,4-pentanedione?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(2-Thienyl)-2-pyrimidinyl]sulfanyl}-2,4-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.