Phthalazine-1-thiol
TL;DR: Phthalazine-1-thiol (CAS 16065-27-3) is a chemical compound with molecular formula C8H6N2S and molecular weight 162.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2H-phthalazine-1-thione
Also Known As: phthalazine-1-thiol, 1-phthalazinethiol, Thiophthalazone, phthalazinethiol, Phthalazine-1-thione
| Molecular Formula | C8H6N2S |
|---|---|
| Molecular Weight | 162.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.02516 |
| Heavy Atoms | 11 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 16065-27-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NNC2=S |
| InChIKey | RGYHGSBVFWRLCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phthalazine-1-thiol (CAS 16065-27-3), with molecular formula C8H6N2S and molecular weight 162.03 g/mol. IUPAC: 2H-phthalazine-1-thione.
Chemical Property Profile of Phthalazine-1-thiol
Property Insights of Phthalazine-1-thiol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalazine-1-thiol. With a topological polar surface area (TPSA) of 56.5 Ų, Phthalazine-1-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phthalazine-1-thiol 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 Phthalazine-1-thiol?
The CAS number of Phthalazine-1-thiol is 16065-27-3.
What is the molecular formula of Phthalazine-1-thiol?
The molecular formula of Phthalazine-1-thiol is C8H6N2S.
What is the molecular weight of Phthalazine-1-thiol?
The molecular weight of Phthalazine-1-thiol is 162.03 g/mol.
Where can I buy Phthalazine-1-thiol?
You can request a quote for Phthalazine-1-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phthalazine-1-thiol?
Yes, KEHONG BIO provides custom synthesis services for Phthalazine-1-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.