![2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone structure](/static/products/259/2591-05-1.png)
2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone
TL;DR: 2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone (CAS 2591-05-1) is a chemical compound with molecular formula C12H11NOS2 and molecular weight 249.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone
Also Known As: 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone, AP-853/42936658, 2-(4-methyl-thiazol-2-ylsulfanyl)-1-phenyl-ethanone, 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenyl-ethanone
| Molecular Formula | C12H11NOS2 |
|---|---|
| Molecular Weight | 249.03 g/mol |
| LogP | 3.42652 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.02821 |
| Heavy Atoms | 16 |
| Complexity | 478.7738 |
Chemical Identifiers
| CAS Number | 2591-05-1 |
|---|---|
| SMILES | CC1=CSC(=N1)SCC(=O)C2=CC=CC=C2 |
Product Overview
2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone (CAS 2591-05-1), with molecular formula C12H11NOS2 and molecular weight 249.03 g/mol. IUPAC: 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone.
Chemical Property Profile of 2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone
Property Insights of 2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone
The XLogP value of 3.42652 indicates that 2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.96 Ų, 2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone has 0 hydrogen bond donor(s) and 4 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 2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone?
The CAS number of 2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone is 2591-05-1.
What is the molecular formula of 2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone?
The molecular formula of 2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone is C12H11NOS2.
What is the molecular weight of 2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone?
The molecular weight of 2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone is 249.03 g/mol.
Where can I buy 2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone?
You can request a quote for 2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.