1-phenyl-1H-tetrazol-5-yl (1E)-N-(3-methylphenyl)-2-oxopropanehydrazonothioate
TL;DR: 1-phenyl-1H-tetrazol-5-yl (1E)-N-(3-methylphenyl)-2-oxopropanehydrazonothioate (CAS 669760-17-2) is a chemical compound with molecular formula C17H16N6OS and molecular weight 352.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-phenyltetrazol-5-yl) (1E)-N-(3-methylanilino)-2-oxopropanimidothioate
Also Known As: (1-phenyltetrazol-5-yl) (1E)-N-(3-methylanilino)-2-oxopropanimidothioate, (E)-1-phenyl-1H-tetrazol-5-yl 2-oxo-N'-(m-tolyl)propanehydrazonothioate, 1-phenyl-1H-tetrazol-5-yl (1E)-N-(3-methylphenyl)-2-oxopropanehydrazonothioate, propanehydrazonothioic acid, N-(3-methylphenyl)-2-oxo-, 1-phenyl-1H-tetrazol-5-yl ester, (1E)-
| Molecular Formula | C17H16N6OS |
|---|---|
| Molecular Weight | 352.11 g/mol |
| LogP | 3.07742 |
| Topological Polar Surface Area | 85.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.11063 |
| Heavy Atoms | 25 |
| Complexity | 906.26624 |
Chemical Identifiers
| CAS Number | 669760-17-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N/N=C(\C(=O)C)/SC2=NN=NN2C3=CC=CC=C3 |
Product Overview
1-phenyl-1H-tetrazol-5-yl (1E)-N-(3-methylphenyl)-2-oxopropanehydrazonothioate (CAS 669760-17-2), with molecular formula C17H16N6OS and molecular weight 352.11 g/mol. IUPAC: (1-phenyltetrazol-5-yl) (1E)-N-(3-methylanilino)-2-oxopropanimidothioate.
Chemical Property Profile of 1-phenyl-1H-tetrazol-5-yl (1E)-N-(3-methylphenyl)-2-oxopropanehydrazonothioate
Property Insights of 1-phenyl-1H-tetrazol-5-yl (1E)-N-(3-methylphenyl)-2-oxopropanehydrazonothioate
The XLogP value of 3.07742 indicates that 1-phenyl-1H-tetrazol-5-yl (1E)-N-(3-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 1-phenyl-1H-tetrazol-5-yl (1E)-N-(3-methylphenyl)-2-oxopropanehydrazonothioate. Following Lipinski's Rule of Five, 1-phenyl-1H-tetrazol-5-yl (1E)-N-(3-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 1-phenyl-1H-tetrazol-5-yl (1E)-N-(3-methylphenyl)-2-oxopropanehydrazonothioate?
The CAS number of 1-phenyl-1H-tetrazol-5-yl (1E)-N-(3-methylphenyl)-2-oxopropanehydrazonothioate is 669760-17-2.
What is the molecular formula of 1-phenyl-1H-tetrazol-5-yl (1E)-N-(3-methylphenyl)-2-oxopropanehydrazonothioate?
The molecular formula of 1-phenyl-1H-tetrazol-5-yl (1E)-N-(3-methylphenyl)-2-oxopropanehydrazonothioate is C17H16N6OS.
What is the molecular weight of 1-phenyl-1H-tetrazol-5-yl (1E)-N-(3-methylphenyl)-2-oxopropanehydrazonothioate?
The molecular weight of 1-phenyl-1H-tetrazol-5-yl (1E)-N-(3-methylphenyl)-2-oxopropanehydrazonothioate is 352.11 g/mol.
Where can I buy 1-phenyl-1H-tetrazol-5-yl (1E)-N-(3-methylphenyl)-2-oxopropanehydrazonothioate?
You can request a quote for 1-phenyl-1H-tetrazol-5-yl (1E)-N-(3-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 1-phenyl-1H-tetrazol-5-yl (1E)-N-(3-methylphenyl)-2-oxopropanehydrazonothioate?
Yes, KEHONG BIO provides custom synthesis services for 1-phenyl-1H-tetrazol-5-yl (1E)-N-(3-methylphenyl)-2-oxopropanehydrazonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.