1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one
TL;DR: 1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one (CAS 938-38-5) is a chemical compound with molecular formula C9H7NOS and molecular weight 177.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-sulfanylidene-4H-isoquinolin-3-one
Also Known As: 1-thioxo-4H-isoquinolin-3-one, 1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one, 1-sulfanylidene-4H-isoquinolin-3-one, 1-thioxo-1,2-dihydroisoquinolin-3(4H)-one, 1-thioxo-1,4-dihydro-3(2H)-isoquinolinone
| Molecular Formula | C9H7NOS |
|---|---|
| Molecular Weight | 177.02 g/mol |
| LogP | 1.0344 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.02484 |
| Heavy Atoms | 12 |
| Complexity | 359.3011 |
Chemical Identifiers
| CAS Number | 938-38-5 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=S)NC1=O |
Product Overview
1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one (CAS 938-38-5), with molecular formula C9H7NOS and molecular weight 177.02 g/mol. IUPAC: 1-sulfanylidene-4H-isoquinolin-3-one.
Chemical Property Profile of 1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one
Property Insights of 1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one
The XLogP value of 1.0344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one. With a topological polar surface area (TPSA) of 29.1 Ų, 1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one has 1 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-Thioxo-1,4-dihydro-2H-isoquinolin-3-one?
The CAS number of 1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one is 938-38-5.
What is the molecular formula of 1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one?
The molecular formula of 1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one is C9H7NOS.
What is the molecular weight of 1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one?
The molecular weight of 1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one is 177.02 g/mol.
Where can I buy 1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one?
You can request a quote for 1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.