![2-[(5-Hydroxy-1-isoquinolinyl)methylene]hydrazinecarbothioamide structure](/static/products/1781/17817-21-9.webp)
2-[(5-Hydroxy-1-isoquinolinyl)methylene]hydrazinecarbothioamide
TL;DR: 2-[(5-Hydroxy-1-isoquinolinyl)methylene]hydrazinecarbothioamide (CAS 17817-21-9) is a chemical compound with molecular formula C11H10N4OS and molecular weight 246.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5-hydroxyisoquinolin-1-yl)methylideneamino]thiourea
Also Known As: 5-hydroxy-isoquinoline-1-carbaldehyde thiosemicarbazone, 2-[(5-Hydroxy-1-isoquinolinyl)methylene]hydrazinecarbothioamide, 2-[(5-Hydroxyisoquinolin-1-yl)methylidene]hydrazine-1-carbothioamide
| Molecular Formula | C11H10N4OS |
|---|---|
| Molecular Weight | 246.06 g/mol |
| LogP | 1.1075 |
| Topological Polar Surface Area | 83.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.05753 |
| Heavy Atoms | 17 |
| Complexity | 597.04114 |
Chemical Identifiers
| CAS Number | 17817-21-9 |
|---|---|
| SMILES | C1=CC2=C(C=CN=C2C=NNC(=S)N)C(=C1)O |
Product Overview
2-[(5-Hydroxy-1-isoquinolinyl)methylene]hydrazinecarbothioamide (CAS 17817-21-9), with molecular formula C11H10N4OS and molecular weight 246.06 g/mol. IUPAC: [(5-hydroxyisoquinolin-1-yl)methylideneamino]thiourea.
Chemical Property Profile of 2-[(5-Hydroxy-1-isoquinolinyl)methylene]hydrazinecarbothioamide
Property Insights of 2-[(5-Hydroxy-1-isoquinolinyl)methylene]hydrazinecarbothioamide
The XLogP value of 1.1075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-Hydroxy-1-isoquinolinyl)methylene]hydrazinecarbothioamide. The TPSA of 83.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-Hydroxy-1-isoquinolinyl)methylene]hydrazinecarbothioamide. Following Lipinski's Rule of Five, 2-[(5-Hydroxy-1-isoquinolinyl)methylene]hydrazinecarbothioamide 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-[(5-Hydroxy-1-isoquinolinyl)methylene]hydrazinecarbothioamide?
The CAS number of 2-[(5-Hydroxy-1-isoquinolinyl)methylene]hydrazinecarbothioamide is 17817-21-9.
What is the molecular formula of 2-[(5-Hydroxy-1-isoquinolinyl)methylene]hydrazinecarbothioamide?
The molecular formula of 2-[(5-Hydroxy-1-isoquinolinyl)methylene]hydrazinecarbothioamide is C11H10N4OS.
What is the molecular weight of 2-[(5-Hydroxy-1-isoquinolinyl)methylene]hydrazinecarbothioamide?
The molecular weight of 2-[(5-Hydroxy-1-isoquinolinyl)methylene]hydrazinecarbothioamide is 246.06 g/mol.
Where can I buy 2-[(5-Hydroxy-1-isoquinolinyl)methylene]hydrazinecarbothioamide?
You can request a quote for 2-[(5-Hydroxy-1-isoquinolinyl)methylene]hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-Hydroxy-1-isoquinolinyl)methylene]hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-Hydroxy-1-isoquinolinyl)methylene]hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.