2-Mercapto-1,4-naphthoquinone
TL;DR: 2-Mercapto-1,4-naphthoquinone (CAS 116401-72-0) is a chemical compound with molecular formula C10H6O2S and molecular weight 190.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylnaphthalene-1,4-dione
Also Known As: 2-Mercapto-1,4-naphthoquinone, mono(thio)-1,4-naphthoquinone, 2-sulfanylnaphthalene-1,4-dione
| Molecular Formula | C10H6O2S |
|---|---|
| Molecular Weight | 190.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 35.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.00885 |
| Heavy Atoms | 13 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 116401-72-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(C2=O)S |
| InChIKey | RWSGVVRLMWVPTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Mercapto-1,4-naphthoquinone (CAS 116401-72-0), with molecular formula C10H6O2S and molecular weight 190.01 g/mol. IUPAC: 2-sulfanylnaphthalene-1,4-dione.
Chemical Property Profile of 2-Mercapto-1,4-naphthoquinone
Property Insights of 2-Mercapto-1,4-naphthoquinone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercapto-1,4-naphthoquinone. With a topological polar surface area (TPSA) of 35.1 Ų, 2-Mercapto-1,4-naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Mercapto-1,4-naphthoquinone 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
Frequently Asked Questions
What is the CAS number of 2-Mercapto-1,4-naphthoquinone?
The CAS number of 2-Mercapto-1,4-naphthoquinone is 116401-72-0.
What is the molecular formula of 2-Mercapto-1,4-naphthoquinone?
The molecular formula of 2-Mercapto-1,4-naphthoquinone is C10H6O2S.
What is the molecular weight of 2-Mercapto-1,4-naphthoquinone?
The molecular weight of 2-Mercapto-1,4-naphthoquinone is 190.01 g/mol.
Where can I buy 2-Mercapto-1,4-naphthoquinone?
You can request a quote for 2-Mercapto-1,4-naphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercapto-1,4-naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-1,4-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.