2-(2-Hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone
TL;DR: 2-(2-Hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone (CAS 59147-84-1) is a chemical compound with molecular formula C13H12O3S and molecular weight 248.05072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-hydroxyethylsulfanyl)-3-methylnaphthalene-1,4-dione
Also Known As: 2-((2-Hydroxyethyl)thio)-3-methylnaphthalene-1,4-dione, Compound 5, Cpd5, cpd 5, CPD 5 (pharmaceutical)
Technical Specifications
| Molecular Formula | C13H12O3S |
| Molecular Weight | 248.05072 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.05072 Da |
| Heavy Atoms | 17 |
| Complexity | 373.0 |
| SMILES | CC1=C(C(=O)C2=CC=CC=C2C1=O)SCCO |
| InChIKey | MZIOEPIEDDJOPP-UHFFFAOYSA-N |
Product Description
Applications: 2-(2-Hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2-(2-Hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone is a fine chemical identified by CAS number 59147-84-1 and the molecular formula C13H12O3S and a molecular weight of 248.05 g/mol. Synonyms include 2-((2-Hydroxyethyl)thio)-3-methylnaphthalene-1,4-dione and Compound 5.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-(2-Hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone
Property Insights of 2-(2-Hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone. Following Lipinski's Rule of Five, 2-(2-Hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone has 1 hydrogen bond donor(s) and 4 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-(2-Hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone?
The CAS number of 2-(2-Hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone is 59147-84-1.
What is the molecular formula of 2-(2-Hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone?
The molecular formula of 2-(2-Hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone is C13H12O3S.
What is the molecular weight of 2-(2-Hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone?
The molecular weight of 2-(2-Hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone is 248.05072 g/mol.
What are the applications of 2-(2-Hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone?
2-(2-Hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical...
Where can I buy 2-(2-Hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone?
You can request a quote for 2-(2-Hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone?
Yes, CoreyChem provides custom synthesis services for 2-(2-Hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.