1-(4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone
TL;DR: 1-(4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone (CAS 156139-61-6) is a chemical compound with molecular formula C12H11NOS2 and molecular weight 249.02821 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone
Also Known As: 1-(4-methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone, 1-(4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone, Ethanone, 1-(2,3-dihydro-4-methyl-3-phenyl-2-thioxo-5-thiazolyl)-, 1-(4-Methyl-3-phenyl-2-thioxo-2,3-dihydrothiazol-5-yl)ethanone, 1-(4-methyl-3-phenyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)ethan-1-one
Technical Specifications
| Molecular Formula | C12H11NOS2 |
| Molecular Weight | 249.02821 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.02821 Da |
| Heavy Atoms | 16 |
| Complexity | 356.0 |
| SMILES | CC1=C(SC(=S)N1C2=CC=CC=C2)C(=O)C |
| InChIKey | NSKNVTYNXCJNAS-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone
Property Insights of 1-(4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone. Following Lipinski's Rule of Five, 1-(4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone 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
What is the CAS number of 1-(4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone?
The CAS number of 1-(4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone is 156139-61-6.
What is the molecular formula of 1-(4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone?
The molecular formula of 1-(4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone is C12H11NOS2.
What is the molecular weight of 1-(4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone?
The molecular weight of 1-(4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone is 249.02821 g/mol.
Where can I buy 1-(4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone?
You can request a quote for 1-(4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone?
Yes, CoreyChem provides custom synthesis services for 1-(4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.