pyrazolethione, 3-2
TL;DR: pyrazolethione, 3-2 (CAS 327167-37-3) is a chemical compound with molecular formula C17H13N5O4S and molecular weight 383.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,4-dinitrophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazole-3-thione
Also Known As: pyrazolethione, 3-2, BAS 00598883, 4-[(2,4-dinitroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione, (4E)-4-[(2,4-dinitroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione, (4Z)-4-[(2,4-dinitroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione
| Molecular Formula | C17H13N5O4S |
|---|---|
| Molecular Weight | 383.07 g/mol |
| LogP | 4.41031 |
| Topological Polar Surface Area | 119.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.06882 |
| Heavy Atoms | 27 |
| Complexity | 1118.0977 |
Chemical Identifiers
| CAS Number | 327167-37-3 |
|---|---|
| SMILES | CC1=C(C(=S)N(N1)C2=CC=CC=C2)C=NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
pyrazolethione, 3-2 (CAS 327167-37-3), with molecular formula C17H13N5O4S and molecular weight 383.07 g/mol. IUPAC: 4-[(2,4-dinitrophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazole-3-thione.
Chemical Property Profile of pyrazolethione, 3-2
Property Insights of pyrazolethione, 3-2
The XLogP value of 4.41031 indicates that pyrazolethione, 3-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.36 Ų falls within the moderate polarity range, balancing permeability and solubility for pyrazolethione, 3-2. Following Lipinski's Rule of Five, pyrazolethione, 3-2 has 1 hydrogen bond donor(s) and 6 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 pyrazolethione, 3-2?
The CAS number of pyrazolethione, 3-2 is 327167-37-3.
What is the molecular formula of pyrazolethione, 3-2?
The molecular formula of pyrazolethione, 3-2 is C17H13N5O4S.
What is the molecular weight of pyrazolethione, 3-2?
The molecular weight of pyrazolethione, 3-2 is 383.07 g/mol.
Where can I buy pyrazolethione, 3-2?
You can request a quote for pyrazolethione, 3-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pyrazolethione, 3-2?
Yes, KEHONG BIO provides custom synthesis services for pyrazolethione, 3-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.