4-Thiomethyl-1,2-naphthoquinone
TL;DR: 4-Thiomethyl-1,2-naphthoquinone (CAS 18916-58-0) is a chemical compound with molecular formula C11H8O2S and molecular weight 204.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanylnaphthalene-1,2-dione
Also Known As: 4-Thiomethyl-1,2-naphthoquinone, 4-methylsulfanyl-[1,2]naphthoquinone, 4-methylsulfanylnaphthalene-1,2-dione, 1,2-Naphthoquinone, 4-(methylthio)-, 4-(Methylsulfanyl)-1,2-naphthalenedione #
| Molecular Formula | C11H8O2S |
|---|---|
| Molecular Weight | 204.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.0245 |
| Heavy Atoms | 14 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 18916-58-0 |
|---|---|
| SMILES | CSC1=CC(=O)C(=O)C2=CC=CC=C21 |
| InChIKey | RFTICTOKHSMYGM-UHFFFAOYSA-N |
Product Overview
4-Thiomethyl-1,2-naphthoquinone (CAS 18916-58-0), with molecular formula C11H8O2S and molecular weight 204.02 g/mol. IUPAC: 4-methylsulfanylnaphthalene-1,2-dione.
Chemical Property Profile of 4-Thiomethyl-1,2-naphthoquinone
Property Insights of 4-Thiomethyl-1,2-naphthoquinone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Thiomethyl-1,2-naphthoquinone. With a topological polar surface area (TPSA) of 59.4 Ų, 4-Thiomethyl-1,2-naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Thiomethyl-1,2-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
Frequently Asked Questions
What is the CAS number of 4-Thiomethyl-1,2-naphthoquinone?
The CAS number of 4-Thiomethyl-1,2-naphthoquinone is 18916-58-0.
What is the molecular formula of 4-Thiomethyl-1,2-naphthoquinone?
The molecular formula of 4-Thiomethyl-1,2-naphthoquinone is C11H8O2S.
What is the molecular weight of 4-Thiomethyl-1,2-naphthoquinone?
The molecular weight of 4-Thiomethyl-1,2-naphthoquinone is 204.02 g/mol.
Where can I buy 4-Thiomethyl-1,2-naphthoquinone?
You can request a quote for 4-Thiomethyl-1,2-naphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Thiomethyl-1,2-naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 4-Thiomethyl-1,2-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.