(E)-1-(p-tolyl)-1H-tetrazol-5-yl N'-(3-chloro-2-methylphenyl)-2-oxopropanehydrazonothioate
TL;DR: (E)-1-(p-tolyl)-1H-tetrazol-5-yl N'-(3-chloro-2-methylphenyl)-2-oxopropanehydrazonothioate (CAS 378776-58-0) is a chemical compound with molecular formula C18H17ClN6OS and molecular weight 400.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-methylphenyl)tetrazol-5-yl] (1E)-N-(3-chloro-2-methylanilino)-2-oxopropanimidothioate
Also Known As: (E)-1-(p-tolyl)-1H-tetrazol-5-yl N'-(3-chloro-2-methylphenyl)-2-oxopropanehydrazonothioate, [1-(4-methylphenyl)tetrazol-5-yl] (1E)-N-(3-chloro-2-methylanilino)-2-oxopropanimidothioate, 1-(4-methylphenyl)-1H-tetrazol-5-yl (1E)-N-(3-chloro-2-methylphenyl)-2-oxopropanehydrazonothioate
| Molecular Formula | C18H17ClN6OS |
|---|---|
| Molecular Weight | 400.09 g/mol |
| LogP | 4.03924 |
| Topological Polar Surface Area | 85.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.0873 |
| Heavy Atoms | 27 |
| Complexity | 999.3414 |
Chemical Identifiers
| CAS Number | 378776-58-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=N2)S/C(=N/NC3=C(C(=CC=C3)Cl)C)/C(=O)C |
Product Overview
(E)-1-(p-tolyl)-1H-tetrazol-5-yl N'-(3-chloro-2-methylphenyl)-2-oxopropanehydrazonothioate (CAS 378776-58-0), with molecular formula C18H17ClN6OS and molecular weight 400.09 g/mol. IUPAC: [1-(4-methylphenyl)tetrazol-5-yl] (1E)-N-(3-chloro-2-methylanilino)-2-oxopropanimidothioate.
Chemical Property Profile of (E)-1-(p-tolyl)-1H-tetrazol-5-yl N'-(3-chloro-2-methylphenyl)-2-oxopropanehydrazonothioate
Property Insights of (E)-1-(p-tolyl)-1H-tetrazol-5-yl N'-(3-chloro-2-methylphenyl)-2-oxopropanehydrazonothioate
The XLogP value of 4.03924 indicates that (E)-1-(p-tolyl)-1H-tetrazol-5-yl N'-(3-chloro-2-methylphenyl)-2-oxopropanehydrazonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.06 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(p-tolyl)-1H-tetrazol-5-yl N'-(3-chloro-2-methylphenyl)-2-oxopropanehydrazonothioate. Following Lipinski's Rule of Five, (E)-1-(p-tolyl)-1H-tetrazol-5-yl N'-(3-chloro-2-methylphenyl)-2-oxopropanehydrazonothioate has 1 hydrogen bond donor(s) and 7 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 (E)-1-(p-tolyl)-1H-tetrazol-5-yl N'-(3-chloro-2-methylphenyl)-2-oxopropanehydrazonothioate?
The CAS number of (E)-1-(p-tolyl)-1H-tetrazol-5-yl N'-(3-chloro-2-methylphenyl)-2-oxopropanehydrazonothioate is 378776-58-0.
What is the molecular formula of (E)-1-(p-tolyl)-1H-tetrazol-5-yl N'-(3-chloro-2-methylphenyl)-2-oxopropanehydrazonothioate?
The molecular formula of (E)-1-(p-tolyl)-1H-tetrazol-5-yl N'-(3-chloro-2-methylphenyl)-2-oxopropanehydrazonothioate is C18H17ClN6OS.
What is the molecular weight of (E)-1-(p-tolyl)-1H-tetrazol-5-yl N'-(3-chloro-2-methylphenyl)-2-oxopropanehydrazonothioate?
The molecular weight of (E)-1-(p-tolyl)-1H-tetrazol-5-yl N'-(3-chloro-2-methylphenyl)-2-oxopropanehydrazonothioate is 400.09 g/mol.
Where can I buy (E)-1-(p-tolyl)-1H-tetrazol-5-yl N'-(3-chloro-2-methylphenyl)-2-oxopropanehydrazonothioate?
You can request a quote for (E)-1-(p-tolyl)-1H-tetrazol-5-yl N'-(3-chloro-2-methylphenyl)-2-oxopropanehydrazonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(p-tolyl)-1H-tetrazol-5-yl N'-(3-chloro-2-methylphenyl)-2-oxopropanehydrazonothioate?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(p-tolyl)-1H-tetrazol-5-yl N'-(3-chloro-2-methylphenyl)-2-oxopropanehydrazonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.