Pyrazolethione, 3-9
TL;DR: Pyrazolethione, 3-9 (CAS 331945-95-0) is a chemical compound with molecular formula C23H19N5S and molecular weight 397.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-phenyl-4-[(4-phenyldiazenylphenyl)iminomethyl]-1H-pyrazole-3-thione
Also Known As: pyrazolethione, 3-9, BAS 00656741, 5-methyl-2-phenyl-4-[(4-phenyldiazenylanilino)methylidene]pyrazole-3-thione, (4Z)-5-methyl-2-phenyl-4-[(4-phenyldiazenylanilino)methylidene]pyrazole-3-thione, 3H-Pyrazole-3-thione, 2,4-dihydro-5-methyl-2-phenyl-4-[[[4-(2-phenyldiazenyl)phenyl]amino]methylene]-
| Molecular Formula | C23H19N5S |
|---|---|
| Molecular Weight | 397.14 g/mol |
| LogP | 7.00931 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.1361 |
| Heavy Atoms | 29 |
| Complexity | 1203.8752 |
Chemical Identifiers
| CAS Number | 331945-95-0 |
|---|---|
| SMILES | CC1=C(C(=S)N(N1)C2=CC=CC=C2)C=NC3=CC=C(C=C3)N=NC4=CC=CC=C4 |
Product Overview
Pyrazolethione, 3-9 (CAS 331945-95-0), with molecular formula C23H19N5S and molecular weight 397.14 g/mol. IUPAC: 5-methyl-2-phenyl-4-[(4-phenyldiazenylphenyl)iminomethyl]-1H-pyrazole-3-thione.
Chemical Property Profile of Pyrazolethione, 3-9
Property Insights of Pyrazolethione, 3-9
The XLogP value of 7.00931 indicates that Pyrazolethione, 3-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.8 Ų, Pyrazolethione, 3-9 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazolethione, 3-9 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrazolethione, 3-9?
The CAS number of Pyrazolethione, 3-9 is 331945-95-0.
What is the molecular formula of Pyrazolethione, 3-9?
The molecular formula of Pyrazolethione, 3-9 is C23H19N5S.
What is the molecular weight of Pyrazolethione, 3-9?
The molecular weight of Pyrazolethione, 3-9 is 397.14 g/mol.
Where can I buy Pyrazolethione, 3-9?
You can request a quote for Pyrazolethione, 3-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazolethione, 3-9?
Yes, KEHONG BIO provides custom synthesis services for Pyrazolethione, 3-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.