2-Hydroxy-1,4-naphthoquinone 1-(thiosemicarbazone)
TL;DR: 2-Hydroxy-1,4-naphthoquinone 1-(thiosemicarbazone) (CAS 29020-74-4) is a chemical compound with molecular formula C11H9N3O2S and molecular weight 247.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dihydroxynaphthalen-1-yl)iminothiourea
Also Known As: 2-HNQTS, 2-Hydroxy-1,4-naphthoquinone 1-(thiosemicarbazone), (3,4-dihydroxynaphthalen-1-yl)iminothiourea, [(3,4-dioxonaphthalen-1-yl)amino]thiourea, 2-Hydroxy-1,4-naphthoquinone monothiosemicarbazone
| Molecular Formula | C11H9N3O2S |
|---|---|
| Molecular Weight | 247.04 g/mol |
| LogP | 2.5783 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.04155 |
| Heavy Atoms | 17 |
| Complexity | 625.3878 |
Chemical Identifiers
| CAS Number | 29020-74-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=C2O)O)N=NC(=S)N |
Product Overview
2-Hydroxy-1,4-naphthoquinone 1-(thiosemicarbazone) (CAS 29020-74-4), with molecular formula C11H9N3O2S and molecular weight 247.04 g/mol. IUPAC: (3,4-dihydroxynaphthalen-1-yl)iminothiourea.
Chemical Property Profile of 2-Hydroxy-1,4-naphthoquinone 1-(thiosemicarbazone)
Property Insights of 2-Hydroxy-1,4-naphthoquinone 1-(thiosemicarbazone)
The XLogP value of 2.5783 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-1,4-naphthoquinone 1-(thiosemicarbazone). The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-1,4-naphthoquinone 1-(thiosemicarbazone). Following Lipinski's Rule of Five, 2-Hydroxy-1,4-naphthoquinone 1-(thiosemicarbazone) has 3 hydrogen bond donor(s) and 4 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-Hydroxy-1,4-naphthoquinone 1-(thiosemicarbazone)?
The CAS number of 2-Hydroxy-1,4-naphthoquinone 1-(thiosemicarbazone) is 29020-74-4.
What is the molecular formula of 2-Hydroxy-1,4-naphthoquinone 1-(thiosemicarbazone)?
The molecular formula of 2-Hydroxy-1,4-naphthoquinone 1-(thiosemicarbazone) is C11H9N3O2S.
What is the molecular weight of 2-Hydroxy-1,4-naphthoquinone 1-(thiosemicarbazone)?
The molecular weight of 2-Hydroxy-1,4-naphthoquinone 1-(thiosemicarbazone) is 247.04 g/mol.
Where can I buy 2-Hydroxy-1,4-naphthoquinone 1-(thiosemicarbazone)?
You can request a quote for 2-Hydroxy-1,4-naphthoquinone 1-(thiosemicarbazone) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-1,4-naphthoquinone 1-(thiosemicarbazone)?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-1,4-naphthoquinone 1-(thiosemicarbazone) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.