1-Ethyl-3-isoquinolin-5-ylthiourea
TL;DR: 1-Ethyl-3-isoquinolin-5-ylthiourea (CAS 140192-80-9) is a chemical compound with molecular formula C12H13N3S and molecular weight 231.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-isoquinolin-5-ylthiourea
Also Known As: 1-ethyl-3-isoquinolin-5-ylthiourea, Thiourea, N-ethyl-N'-5-isoquinolinyl-
| Molecular Formula | C12H13N3S |
|---|---|
| Molecular Weight | 231.08 g/mol |
| LogP | 2.5411 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.08302 |
| Heavy Atoms | 16 |
| Complexity | 505.09497 |
Chemical Identifiers
| CAS Number | 140192-80-9 |
|---|---|
| SMILES | CCNC(=S)NC1=CC=CC2=C1C=CN=C2 |
Product Overview
1-Ethyl-3-isoquinolin-5-ylthiourea (CAS 140192-80-9), with molecular formula C12H13N3S and molecular weight 231.08 g/mol. IUPAC: 1-ethyl-3-isoquinolin-5-ylthiourea.
Chemical Property Profile of 1-Ethyl-3-isoquinolin-5-ylthiourea
Property Insights of 1-Ethyl-3-isoquinolin-5-ylthiourea
The XLogP value of 2.5411 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-3-isoquinolin-5-ylthiourea. With a topological polar surface area (TPSA) of 36.95 Ų, 1-Ethyl-3-isoquinolin-5-ylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-3-isoquinolin-5-ylthiourea 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 1-Ethyl-3-isoquinolin-5-ylthiourea?
The CAS number of 1-Ethyl-3-isoquinolin-5-ylthiourea is 140192-80-9.
What is the molecular formula of 1-Ethyl-3-isoquinolin-5-ylthiourea?
The molecular formula of 1-Ethyl-3-isoquinolin-5-ylthiourea is C12H13N3S.
What is the molecular weight of 1-Ethyl-3-isoquinolin-5-ylthiourea?
The molecular weight of 1-Ethyl-3-isoquinolin-5-ylthiourea is 231.08 g/mol.
Where can I buy 1-Ethyl-3-isoquinolin-5-ylthiourea?
You can request a quote for 1-Ethyl-3-isoquinolin-5-ylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-3-isoquinolin-5-ylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-3-isoquinolin-5-ylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.