![1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone structure](/static/products/3748/37489-50-2.webp)
1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone
TL;DR: 1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone (CAS 37489-50-2) is a chemical compound with molecular formula C15H18N2OS and molecular weight 274.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone
Also Known As: AB00089803-01, 1-[3-(3,4-Dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)phenyl]ethanone, 1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone, 1-[3-(4,4,6-trimethyl-2-thioxo-3,4-dihydro-1(2H)-pyrimidinyl)phenyl]ethanone, 1-[3-(4,4,6-Trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)phenyl]ethan-1-one
| Molecular Formula | C15H18N2OS |
|---|---|
| Molecular Weight | 274.11 g/mol |
| LogP | 3.2661 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.11398 |
| Heavy Atoms | 19 |
| Complexity | 575.26324 |
Chemical Identifiers
| CAS Number | 37489-50-2 |
|---|---|
| SMILES | CC1=CC(NC(=S)N1C2=CC=CC(=C2)C(=O)C)(C)C |
Product Overview
1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone (CAS 37489-50-2), with molecular formula C15H18N2OS and molecular weight 274.11 g/mol. IUPAC: 1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone.
Chemical Property Profile of 1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone
Property Insights of 1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone
The XLogP value of 3.2661 indicates that 1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, 1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone 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 1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone?
The CAS number of 1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone is 37489-50-2.
What is the molecular formula of 1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone?
The molecular formula of 1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone is C15H18N2OS.
What is the molecular weight of 1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone?
The molecular weight of 1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone is 274.11 g/mol.
Where can I buy 1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone?
You can request a quote for 1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.