N-(5-isoquinolinyl)thiourea
TL;DR: N-(5-isoquinolinyl)thiourea (CAS 72677-72-6) is a chemical compound with molecular formula C10H9N3S and molecular weight 203.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isoquinolin-5-ylthiourea
Also Known As: (isoquinolin-5-yl)thiourea, N-(5-isoquinolinyl)thiourea, isoquinolin-5-ylthiourea, 5-isoquinolylthiourea, 1-(Isoquinolin-5-yl)thiourea
| Molecular Formula | C10H9N3S |
|---|---|
| Molecular Weight | 203.05 g/mol |
| LogP | 1.8903 |
| Topological Polar Surface Area | 50.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.05171 |
| Heavy Atoms | 14 |
| Complexity | 476.25574 |
Chemical Identifiers
| CAS Number | 72677-72-6 |
|---|---|
| SMILES | C1=CC2=C(C=CN=C2)C(=C1)NC(=S)N |
Product Overview
N-(5-isoquinolinyl)thiourea (CAS 72677-72-6), with molecular formula C10H9N3S and molecular weight 203.05 g/mol. IUPAC: isoquinolin-5-ylthiourea.
Chemical Property Profile of N-(5-isoquinolinyl)thiourea
Property Insights of N-(5-isoquinolinyl)thiourea
The XLogP value of 1.8903 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-isoquinolinyl)thiourea. With a topological polar surface area (TPSA) of 50.94 Ų, N-(5-isoquinolinyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-isoquinolinyl)thiourea has 2 hydrogen bond donor(s) and 2 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 N-(5-isoquinolinyl)thiourea?
The CAS number of N-(5-isoquinolinyl)thiourea is 72677-72-6.
What is the molecular formula of N-(5-isoquinolinyl)thiourea?
The molecular formula of N-(5-isoquinolinyl)thiourea is C10H9N3S.
What is the molecular weight of N-(5-isoquinolinyl)thiourea?
The molecular weight of N-(5-isoquinolinyl)thiourea is 203.05 g/mol.
Where can I buy N-(5-isoquinolinyl)thiourea?
You can request a quote for N-(5-isoquinolinyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-isoquinolinyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(5-isoquinolinyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.