(Z)-phenylethynyl 4-nitro-N'-phenylbenzohydrazonothioate
TL;DR: (Z)-phenylethynyl 4-nitro-N'-phenylbenzohydrazonothioate (CAS 75398-52-6) is a chemical compound with molecular formula C21H15N3O2S and molecular weight 373.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethynyl (1Z)-N-anilino-4-nitrobenzenecarboximidothioate
Also Known As: (Z)-phenylethynyl 4-nitro-N'-phenylbenzohydrazonothioate
| Molecular Formula | C21H15N3O2S |
|---|---|
| Molecular Weight | 373.09 g/mol |
| LogP | 5.1109 |
| Topological Polar Surface Area | 67.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.0885 |
| Heavy Atoms | 27 |
| Complexity | 992.3516 |
Chemical Identifiers
| CAS Number | 75398-52-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CS/C(=N\NC2=CC=CC=C2)/C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(Z)-phenylethynyl 4-nitro-N'-phenylbenzohydrazonothioate (CAS 75398-52-6), with molecular formula C21H15N3O2S and molecular weight 373.09 g/mol. IUPAC: 2-phenylethynyl (1Z)-N-anilino-4-nitrobenzenecarboximidothioate.
Chemical Property Profile of (Z)-phenylethynyl 4-nitro-N'-phenylbenzohydrazonothioate
Property Insights of (Z)-phenylethynyl 4-nitro-N'-phenylbenzohydrazonothioate
The XLogP value of 5.1109 indicates that (Z)-phenylethynyl 4-nitro-N'-phenylbenzohydrazonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.53 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-phenylethynyl 4-nitro-N'-phenylbenzohydrazonothioate. Following Lipinski's Rule of Five, (Z)-phenylethynyl 4-nitro-N'-phenylbenzohydrazonothioate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-phenylethynyl 4-nitro-N'-phenylbenzohydrazonothioate?
The CAS number of (Z)-phenylethynyl 4-nitro-N'-phenylbenzohydrazonothioate is 75398-52-6.
What is the molecular formula of (Z)-phenylethynyl 4-nitro-N'-phenylbenzohydrazonothioate?
The molecular formula of (Z)-phenylethynyl 4-nitro-N'-phenylbenzohydrazonothioate is C21H15N3O2S.
What is the molecular weight of (Z)-phenylethynyl 4-nitro-N'-phenylbenzohydrazonothioate?
The molecular weight of (Z)-phenylethynyl 4-nitro-N'-phenylbenzohydrazonothioate is 373.09 g/mol.
Where can I buy (Z)-phenylethynyl 4-nitro-N'-phenylbenzohydrazonothioate?
You can request a quote for (Z)-phenylethynyl 4-nitro-N'-phenylbenzohydrazonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-phenylethynyl 4-nitro-N'-phenylbenzohydrazonothioate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-phenylethynyl 4-nitro-N'-phenylbenzohydrazonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.