1-Methylthiophthalazine
TL;DR: 1-Methylthiophthalazine (CAS 21948-74-3) is a chemical compound with molecular formula C9H8N2S and molecular weight 176.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfanylphthalazine
Also Known As: 1-Methylthiophthalazine, 1-methylthiophthal azine, 1-(Methylthio)phthalazine, 1-methylsulfanylphthalazine, 1-(Methylsulfanyl)phthalazine
| Molecular Formula | C9H8N2S |
|---|---|
| Molecular Weight | 176.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.04082 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 21948-74-3 |
|---|---|
| SMILES | CSC1=NN=CC2=CC=CC=C21 |
| InChIKey | NNNCDYDQBKUQBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylthiophthalazine (CAS 21948-74-3), with molecular formula C9H8N2S and molecular weight 176.04 g/mol. IUPAC: 1-methylsulfanylphthalazine.
Chemical Property Profile of 1-Methylthiophthalazine
Property Insights of 1-Methylthiophthalazine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylthiophthalazine. With a topological polar surface area (TPSA) of 51.1 Ų, 1-Methylthiophthalazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylthiophthalazine has 0 hydrogen bond donor(s) and 3 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-Methylthiophthalazine?
The CAS number of 1-Methylthiophthalazine is 21948-74-3.
What is the molecular formula of 1-Methylthiophthalazine?
The molecular formula of 1-Methylthiophthalazine is C9H8N2S.
What is the molecular weight of 1-Methylthiophthalazine?
The molecular weight of 1-Methylthiophthalazine is 176.04 g/mol.
Where can I buy 1-Methylthiophthalazine?
You can request a quote for 1-Methylthiophthalazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylthiophthalazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylthiophthalazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.