2-Methylthio-1,4-naphthoquinone
TL;DR: 2-Methylthio-1,4-naphthoquinone (CAS 26037-60-5) is a chemical compound with molecular formula C11H8O2S and molecular weight 204.0245 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylsulfanylnaphthalene-1,4-dione
Also Known As: 2-Methylthio-1,4-naphthoquinone, 1, 2-(methylthio)-, 1,4-Naphthoquinone, 2-(methylthio)-, 1,4-Naphthalenedione, 2-(methylthio)-, NCIOpen2_003036
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H8O2S |
| Molecular Weight | 204.0245 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.0245 Da |
| Heavy Atoms | 14 |
| Complexity | 306.0 |
| SMILES | CSC1=CC(=O)C2=CC=CC=C2C1=O |
| InChIKey | GGFFBRRZAKLGFX-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methylthio-1,4-naphthoquinone
Property Insights of 2-Methylthio-1,4-naphthoquinone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylthio-1,4-naphthoquinone. With a topological polar surface area (TPSA) of 59.4 Ų, 2-Methylthio-1,4-naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylthio-1,4-naphthoquinone 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 2-Methylthio-1,4-naphthoquinone?
The CAS number of 2-Methylthio-1,4-naphthoquinone is 26037-60-5.
What is the molecular formula of 2-Methylthio-1,4-naphthoquinone?
The molecular formula of 2-Methylthio-1,4-naphthoquinone is C11H8O2S.
What is the molecular weight of 2-Methylthio-1,4-naphthoquinone?
The molecular weight of 2-Methylthio-1,4-naphthoquinone is 204.0245 g/mol.
Where can I buy 2-Methylthio-1,4-naphthoquinone?
You can request a quote for 2-Methylthio-1,4-naphthoquinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methylthio-1,4-naphthoquinone?
Yes, CoreyChem provides custom synthesis services for 2-Methylthio-1,4-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.