![[(4a-methyl-1,3-dioxo-5,6,7,8a-tetrahydro-4H-isoquinolin-8-ylidene)amino]thiourea structure](/static/products/7726/77261-27-9.webp)
[(4a-methyl-1,3-dioxo-5,6,7,8a-tetrahydro-4H-isoquinolin-8-ylidene)amino]thiourea
TL;DR: [(4a-methyl-1,3-dioxo-5,6,7,8a-tetrahydro-4H-isoquinolin-8-ylidene)amino]thiourea (CAS 77261-27-9) is a chemical compound with molecular formula C11H16N4O2S and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4a-methyl-1,3-dioxo-5,6,7,8a-tetrahydro-4H-isoquinolin-8-ylidene)amino]thiourea
Also Known As: [(4a-methyl-1,3-dioxo-5,6,7,8a-tetrahydro-4H-isoquinolin-8-ylidene)amino]thiourea|[(E)-(4a-methyl-1,3-dioxo-5,6,7,8a-tetrahydro-4H-isoquinolin
| Molecular Formula | C11H16N4O2S |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 0.0285 |
| Topological Polar Surface Area | 96.58 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.0994 |
| Heavy Atoms | 18 |
| Complexity | 448.32416 |
Chemical Identifiers
| CAS Number | 77261-27-9 |
|---|---|
| SMILES | CC12CCCC(=NNC(=S)N)C1C(=O)NC(=O)C2 |
Product Overview
[(4a-methyl-1,3-dioxo-5,6,7,8a-tetrahydro-4H-isoquinolin-8-ylidene)amino]thiourea (CAS 77261-27-9), with molecular formula C11H16N4O2S and molecular weight 268.10 g/mol. IUPAC: [(4a-methyl-1,3-dioxo-5,6,7,8a-tetrahydro-4H-isoquinolin-8-ylidene)amino]thiourea.
Chemical Property Profile of [(4a-methyl-1,3-dioxo-5,6,7,8a-tetrahydro-4H-isoquinolin-8-ylidene)amino]thiourea
Property Insights of [(4a-methyl-1,3-dioxo-5,6,7,8a-tetrahydro-4H-isoquinolin-8-ylidene)amino]thiourea
The XLogP value of 0.0285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4a-methyl-1,3-dioxo-5,6,7,8a-tetrahydro-4H-isoquinolin-8-ylidene)amino]thiourea. The TPSA of 96.58 Ų falls within the moderate polarity range, balancing permeability and solubility for [(4a-methyl-1,3-dioxo-5,6,7,8a-tetrahydro-4H-isoquinolin-8-ylidene)amino]thiourea. Following Lipinski's Rule of Five, [(4a-methyl-1,3-dioxo-5,6,7,8a-tetrahydro-4H-isoquinolin-8-ylidene)amino]thiourea 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 [(4a-methyl-1,3-dioxo-5,6,7,8a-tetrahydro-4H-isoquinolin-8-ylidene)amino]thiourea?
The CAS number of [(4a-methyl-1,3-dioxo-5,6,7,8a-tetrahydro-4H-isoquinolin-8-ylidene)amino]thiourea is 77261-27-9.
What is the molecular formula of [(4a-methyl-1,3-dioxo-5,6,7,8a-tetrahydro-4H-isoquinolin-8-ylidene)amino]thiourea?
The molecular formula of [(4a-methyl-1,3-dioxo-5,6,7,8a-tetrahydro-4H-isoquinolin-8-ylidene)amino]thiourea is C11H16N4O2S.
What is the molecular weight of [(4a-methyl-1,3-dioxo-5,6,7,8a-tetrahydro-4H-isoquinolin-8-ylidene)amino]thiourea?
The molecular weight of [(4a-methyl-1,3-dioxo-5,6,7,8a-tetrahydro-4H-isoquinolin-8-ylidene)amino]thiourea is 268.10 g/mol.
Where can I buy [(4a-methyl-1,3-dioxo-5,6,7,8a-tetrahydro-4H-isoquinolin-8-ylidene)amino]thiourea?
You can request a quote for [(4a-methyl-1,3-dioxo-5,6,7,8a-tetrahydro-4H-isoquinolin-8-ylidene)amino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(4a-methyl-1,3-dioxo-5,6,7,8a-tetrahydro-4H-isoquinolin-8-ylidene)amino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for [(4a-methyl-1,3-dioxo-5,6,7,8a-tetrahydro-4H-isoquinolin-8-ylidene)amino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.