1-phenyl-1H-tetrazol-5-yl (1E)-2-oxo-N,2-diphenylethanehydrazonothioate
TL;DR: 1-phenyl-1H-tetrazol-5-yl (1E)-2-oxo-N,2-diphenylethanehydrazonothioate (CAS 585556-37-2) is a chemical compound with molecular formula C21H16N6OS and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-phenyltetrazol-5-yl) (1E)-N-anilino-2-oxo-2-phenylethanimidothioate
Also Known As: (1-phenyltetrazol-5-yl) (1E)-N-anilino-2-oxo-2-phenylethanimidothioate, (E)-1-phenyl-1H-tetrazol-5-yl 2-oxo-N',2-diphenylethanehydrazonothioate, 1-phenyl-1H-tetrazol-5-yl (1E)-2-oxo-N,2-diphenylethanehydrazonothioate, benzeneethanehydrazonothioic acid, alpha-oxo-N-phenyl-, 1-phenyl-1H-tetrazol-5-yl ester
| Molecular Formula | C21H16N6OS |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 4.0629 |
| Topological Polar Surface Area | 85.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.11063 |
| Heavy Atoms | 29 |
| Complexity | 1113.6533 |
Chemical Identifiers
| CAS Number | 585556-37-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)/C(=N\NC2=CC=CC=C2)/SC3=NN=NN3C4=CC=CC=C4 |
Product Overview
1-phenyl-1H-tetrazol-5-yl (1E)-2-oxo-N,2-diphenylethanehydrazonothioate (CAS 585556-37-2), with molecular formula C21H16N6OS and molecular weight 400.11 g/mol. IUPAC: (1-phenyltetrazol-5-yl) (1E)-N-anilino-2-oxo-2-phenylethanimidothioate.
Chemical Property Profile of 1-phenyl-1H-tetrazol-5-yl (1E)-2-oxo-N,2-diphenylethanehydrazonothioate
Property Insights of 1-phenyl-1H-tetrazol-5-yl (1E)-2-oxo-N,2-diphenylethanehydrazonothioate
The XLogP value of 4.0629 indicates that 1-phenyl-1H-tetrazol-5-yl (1E)-2-oxo-N,2-diphenylethanehydrazonothioate 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)-2-oxo-N,2-diphenylethanehydrazonothioate. Following Lipinski's Rule of Five, 1-phenyl-1H-tetrazol-5-yl (1E)-2-oxo-N,2-diphenylethanehydrazonothioate 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)-2-oxo-N,2-diphenylethanehydrazonothioate?
The CAS number of 1-phenyl-1H-tetrazol-5-yl (1E)-2-oxo-N,2-diphenylethanehydrazonothioate is 585556-37-2.
What is the molecular formula of 1-phenyl-1H-tetrazol-5-yl (1E)-2-oxo-N,2-diphenylethanehydrazonothioate?
The molecular formula of 1-phenyl-1H-tetrazol-5-yl (1E)-2-oxo-N,2-diphenylethanehydrazonothioate is C21H16N6OS.
What is the molecular weight of 1-phenyl-1H-tetrazol-5-yl (1E)-2-oxo-N,2-diphenylethanehydrazonothioate?
The molecular weight of 1-phenyl-1H-tetrazol-5-yl (1E)-2-oxo-N,2-diphenylethanehydrazonothioate is 400.11 g/mol.
Where can I buy 1-phenyl-1H-tetrazol-5-yl (1E)-2-oxo-N,2-diphenylethanehydrazonothioate?
You can request a quote for 1-phenyl-1H-tetrazol-5-yl (1E)-2-oxo-N,2-diphenylethanehydrazonothioate 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)-2-oxo-N,2-diphenylethanehydrazonothioate?
Yes, KEHONG BIO provides custom synthesis services for 1-phenyl-1H-tetrazol-5-yl (1E)-2-oxo-N,2-diphenylethanehydrazonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.