4-Phenyl-phthalazine-1-thiol
TL;DR: 4-Phenyl-phthalazine-1-thiol (CAS 35392-60-0) is a chemical compound with molecular formula C14H10N2S and molecular weight 238.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-2H-phthalazine-1-thione
Also Known As: 4-Phenyl-phthalazine-1-thiol, 4-phenylphthalazine-1-thiol, 4-Phenyl-2H-phthalazine-1-thione, 4-Phenyl-1-phthalazinethiol, 4-Phenyl-1(2H)-phthalazinethione
| Molecular Formula | C14H10N2S |
|---|---|
| Molecular Weight | 238.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.05647 |
| Heavy Atoms | 17 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 35392-60-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=S)C3=CC=CC=C32 |
| InChIKey | BVCRPTIUWPVUQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Phenyl-phthalazine-1-thiol (CAS 35392-60-0), with molecular formula C14H10N2S and molecular weight 238.06 g/mol. IUPAC: 4-phenyl-2H-phthalazine-1-thione.
Chemical Property Profile of 4-Phenyl-phthalazine-1-thiol
Property Insights of 4-Phenyl-phthalazine-1-thiol
The XLogP value of 3.3 indicates that 4-Phenyl-phthalazine-1-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.5 Ų, 4-Phenyl-phthalazine-1-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-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 4-Phenyl-phthalazine-1-thiol?
The CAS number of 4-Phenyl-phthalazine-1-thiol is 35392-60-0.
What is the molecular formula of 4-Phenyl-phthalazine-1-thiol?
The molecular formula of 4-Phenyl-phthalazine-1-thiol is C14H10N2S.
What is the molecular weight of 4-Phenyl-phthalazine-1-thiol?
The molecular weight of 4-Phenyl-phthalazine-1-thiol is 238.06 g/mol.
Where can I buy 4-Phenyl-phthalazine-1-thiol?
You can request a quote for 4-Phenyl-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 4-Phenyl-phthalazine-1-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-phthalazine-1-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.