2-(Ethylsulfanyl)-3-methylnaphthalene-1,4-dione
TL;DR: 2-(Ethylsulfanyl)-3-methylnaphthalene-1,4-dione (CAS 2610-95-9) is a chemical compound with molecular formula C13H12O2S and molecular weight 232.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-3-methylnaphthalene-1,4-dione
Also Known As: 2-(ethylsulfanyl)-3-methylnaphthalene-1,4-dione, 2-(Ethylthio)-3-methylnaphthalene-1,4-dione, 2-ethylthio-3-methyl-1,4-naphthoquinone, 2-(Ethylthio)-3-methyl-1,4-naphthoquinone, 1,4-Naphthalenedione,2-(ethylthio)-3-methyl-
| Molecular Formula | C13H12O2S |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.0558 |
| Heavy Atoms | 16 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 2610-95-9 |
|---|---|
| SMILES | CCSC1=C(C(=O)C2=CC=CC=C2C1=O)C |
| InChIKey | AAPLOQZFUUYECE-UHFFFAOYSA-N |
Product Overview
2-(Ethylsulfanyl)-3-methylnaphthalene-1,4-dione (CAS 2610-95-9), with molecular formula C13H12O2S and molecular weight 232.06 g/mol. IUPAC: 2-ethylsulfanyl-3-methylnaphthalene-1,4-dione.
Chemical Property Profile of 2-(Ethylsulfanyl)-3-methylnaphthalene-1,4-dione
Property Insights of 2-(Ethylsulfanyl)-3-methylnaphthalene-1,4-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Ethylsulfanyl)-3-methylnaphthalene-1,4-dione. With a topological polar surface area (TPSA) of 59.4 Ų, 2-(Ethylsulfanyl)-3-methylnaphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Ethylsulfanyl)-3-methylnaphthalene-1,4-dione 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
Frequently Asked Questions
What is the CAS number of 2-(Ethylsulfanyl)-3-methylnaphthalene-1,4-dione?
The CAS number of 2-(Ethylsulfanyl)-3-methylnaphthalene-1,4-dione is 2610-95-9.
What is the molecular formula of 2-(Ethylsulfanyl)-3-methylnaphthalene-1,4-dione?
The molecular formula of 2-(Ethylsulfanyl)-3-methylnaphthalene-1,4-dione is C13H12O2S.
What is the molecular weight of 2-(Ethylsulfanyl)-3-methylnaphthalene-1,4-dione?
The molecular weight of 2-(Ethylsulfanyl)-3-methylnaphthalene-1,4-dione is 232.06 g/mol.
Where can I buy 2-(Ethylsulfanyl)-3-methylnaphthalene-1,4-dione?
You can request a quote for 2-(Ethylsulfanyl)-3-methylnaphthalene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethylsulfanyl)-3-methylnaphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethylsulfanyl)-3-methylnaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.