Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(methylthio)-
TL;DR: Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(methylthio)- (CAS 132628-97-8) is a chemical compound with molecular formula C12H15NS and molecular weight 205.09251 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-dimethyl-1-methylsulfanyl-4H-isoquinoline
Also Known As: 3,3-Dimethyl-1-(methylthio)-3,4-dihydroisoquinoline, 3,3-dimethyl-1-methylsulfanyl-4H-isoquinoline, Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(methylthio)-, J1.130.739F, 3,3-dimethyl-1-(methylsulfanyl)-3,4-dihydroisoquinoline
Technical Specifications
| Molecular Formula | C12H15NS |
| Molecular Weight | 205.09251 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 37.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.09251 Da |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
| SMILES | CC1(CC2=CC=CC=C2C(=N1)SC)C |
| InChIKey | IAYIROUIYOEEAO-UHFFFAOYSA-N |
Chemical Property Profile of Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(methylthio)-
Property Insights of Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(methylthio)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(methylthio)-. With a topological polar surface area (TPSA) of 37.7 Ų, Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(methylthio)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(methylthio)-?
The CAS number of Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(methylthio)- is 132628-97-8.
What is the molecular formula of Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(methylthio)-?
The molecular formula of Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(methylthio)- is C12H15NS.
What is the molecular weight of Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(methylthio)-?
The molecular weight of Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(methylthio)- is 205.09251 g/mol.
Where can I buy Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(methylthio)-?
You can request a quote for Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(methylthio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(methylthio)-?
Yes, CoreyChem provides custom synthesis services for Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.