7-Mercapto-4-methylcoumarin
TL;DR: 7-Mercapto-4-methylcoumarin (CAS 137215-27-1) is a chemical compound with molecular formula C10H8O2S and molecular weight 192.0245 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-7-sulfanylchromen-2-one
Also Known As: 7-Mercapto-4-methylcoumarin, 7-Mercapto-4-methyl-2H-chromen-2-one, Benzylisoamylether, 4-methyl-7-sulfanylchromen-2-one, 4-methyl-7-thiocoumarin
Technical Specifications
| Molecular Formula | C10H8O2S |
| Molecular Weight | 192.0245 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.0245 Da |
| Heavy Atoms | 13 |
| Complexity | 260.0 |
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)S |
| InChIKey | BYDNGJQDDNBAHI-UHFFFAOYSA-N |
Chemical Property Profile of 7-Mercapto-4-methylcoumarin
Property Insights of 7-Mercapto-4-methylcoumarin
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Mercapto-4-methylcoumarin. With a topological polar surface area (TPSA) of 27.3 Ų, 7-Mercapto-4-methylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Mercapto-4-methylcoumarin has 1 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 7-Mercapto-4-methylcoumarin?
The CAS number of 7-Mercapto-4-methylcoumarin is 137215-27-1.
What is the molecular formula of 7-Mercapto-4-methylcoumarin?
The molecular formula of 7-Mercapto-4-methylcoumarin is C10H8O2S.
What is the molecular weight of 7-Mercapto-4-methylcoumarin?
The molecular weight of 7-Mercapto-4-methylcoumarin is 192.0245 g/mol.
Where can I buy 7-Mercapto-4-methylcoumarin?
You can request a quote for 7-Mercapto-4-methylcoumarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Mercapto-4-methylcoumarin?
Yes, CoreyChem provides custom synthesis services for 7-Mercapto-4-methylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.