4-chloro-2H-phthalazine-1-thione
TL;DR: 4-chloro-2H-phthalazine-1-thione (CAS 14062-52-3) is a chemical compound with molecular formula C8H5ClN2S and molecular weight 195.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2H-phthalazine-1-thione
Also Known As: 4-chloro-1,2-dihydrophthalazine-1-thione, 4-chloro-2H-phthalazine-1-thione, 1(2H)-Phthalazinethione, 4-chloro-
| Molecular Formula | C8H5ClN2S |
|---|---|
| Molecular Weight | 195.99 g/mol |
| LogP | 2.94579 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.98619 |
| Heavy Atoms | 12 |
| Complexity | 477.6867 |
Chemical Identifiers
| CAS Number | 14062-52-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=S)NN=C2Cl |
Product Overview
4-chloro-2H-phthalazine-1-thione (CAS 14062-52-3), with molecular formula C8H5ClN2S and molecular weight 195.99 g/mol. IUPAC: 4-chloro-2H-phthalazine-1-thione.
Chemical Property Profile of 4-chloro-2H-phthalazine-1-thione
Property Insights of 4-chloro-2H-phthalazine-1-thione
The XLogP value of 2.94579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-2H-phthalazine-1-thione. With a topological polar surface area (TPSA) of 28.68 Ų, 4-chloro-2H-phthalazine-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-2H-phthalazine-1-thione 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-chloro-2H-phthalazine-1-thione?
The CAS number of 4-chloro-2H-phthalazine-1-thione is 14062-52-3.
What is the molecular formula of 4-chloro-2H-phthalazine-1-thione?
The molecular formula of 4-chloro-2H-phthalazine-1-thione is C8H5ClN2S.
What is the molecular weight of 4-chloro-2H-phthalazine-1-thione?
The molecular weight of 4-chloro-2H-phthalazine-1-thione is 195.99 g/mol.
Where can I buy 4-chloro-2H-phthalazine-1-thione?
You can request a quote for 4-chloro-2H-phthalazine-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-2H-phthalazine-1-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-2H-phthalazine-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.