1,2-Naphthoquinone thiosemicarbazone
TL;DR: 1,2-Naphthoquinone thiosemicarbazone (CAS 668422-69-3) is a chemical compound with molecular formula C11H9N3OS and molecular weight 231.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-hydroxynaphthalen-2-yl)iminothiourea
Also Known As: 1,2-Nqt, 1,2-Naphthoquinone thiosemicarbazone, 1,2-naphthoquinonethiosemicarbazone, (1-hydroxynaphthalen-2-yl)iminothiourea, 1,2-Naphthoquinone 2-thiosemicarbazone
| Molecular Formula | C11H9N3OS |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 2.8727 |
| Topological Polar Surface Area | 70.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.04663 |
| Heavy Atoms | 16 |
| Complexity | 580.4514 |
Chemical Identifiers
| CAS Number | 668422-69-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2O)N=NC(=S)N |
Product Overview
1,2-Naphthoquinone thiosemicarbazone (CAS 668422-69-3), with molecular formula C11H9N3OS and molecular weight 231.05 g/mol. IUPAC: (1-hydroxynaphthalen-2-yl)iminothiourea.
Chemical Property Profile of 1,2-Naphthoquinone thiosemicarbazone
Property Insights of 1,2-Naphthoquinone thiosemicarbazone
The XLogP value of 2.8727 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Naphthoquinone thiosemicarbazone. The TPSA of 70.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Naphthoquinone thiosemicarbazone. Following Lipinski's Rule of Five, 1,2-Naphthoquinone thiosemicarbazone has 2 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 1,2-Naphthoquinone thiosemicarbazone?
The CAS number of 1,2-Naphthoquinone thiosemicarbazone is 668422-69-3.
What is the molecular formula of 1,2-Naphthoquinone thiosemicarbazone?
The molecular formula of 1,2-Naphthoquinone thiosemicarbazone is C11H9N3OS.
What is the molecular weight of 1,2-Naphthoquinone thiosemicarbazone?
The molecular weight of 1,2-Naphthoquinone thiosemicarbazone is 231.05 g/mol.
Where can I buy 1,2-Naphthoquinone thiosemicarbazone?
You can request a quote for 1,2-Naphthoquinone thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Naphthoquinone thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Naphthoquinone thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.