Benzenecarboximidothioic acid, N-phenyl-, 4-nitrophenyl ester
TL;DR: Benzenecarboximidothioic acid, N-phenyl-, 4-nitrophenyl ester (CAS 14156-54-8) is a chemical compound with molecular formula C19H14N2O2S and molecular weight 334.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) N-phenylbenzenecarboximidothioate
Also Known As: 4-Nitrophenyl N-phenylbenzenecarbimidothioate, 4-Nitrophenyl N-phenylbenzenecarbimidothioate #, 4-Nitrophenyl N-phenylbenzenecarboximidothioate, (4-nitrophenyl) N-phenylbenzenecarboximidothioate, Benzenecarboximidothioic acid, N-phenyl-, 4-nitrophenyl ester
| Molecular Formula | C19H14N2O2S |
|---|---|
| Molecular Weight | 334.08 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.0776 |
| Heavy Atoms | 24 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 14156-54-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=NC2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | WXLCUTNVAFPVDC-UHFFFAOYSA-N |
Product Overview
Benzenecarboximidothioic acid, N-phenyl-, 4-nitrophenyl ester (CAS 14156-54-8), with molecular formula C19H14N2O2S and molecular weight 334.08 g/mol. IUPAC: (4-nitrophenyl) N-phenylbenzenecarboximidothioate.
Chemical Property Profile of Benzenecarboximidothioic acid, N-phenyl-, 4-nitrophenyl ester
Property Insights of Benzenecarboximidothioic acid, N-phenyl-, 4-nitrophenyl ester
The XLogP value of 5.5 indicates that Benzenecarboximidothioic acid, N-phenyl-, 4-nitrophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenecarboximidothioic acid, N-phenyl-, 4-nitrophenyl ester. Following Lipinski's Rule of Five, Benzenecarboximidothioic acid, N-phenyl-, 4-nitrophenyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenecarboximidothioic acid, N-phenyl-, 4-nitrophenyl ester?
The CAS number of Benzenecarboximidothioic acid, N-phenyl-, 4-nitrophenyl ester is 14156-54-8.
What is the molecular formula of Benzenecarboximidothioic acid, N-phenyl-, 4-nitrophenyl ester?
The molecular formula of Benzenecarboximidothioic acid, N-phenyl-, 4-nitrophenyl ester is C19H14N2O2S.
What is the molecular weight of Benzenecarboximidothioic acid, N-phenyl-, 4-nitrophenyl ester?
The molecular weight of Benzenecarboximidothioic acid, N-phenyl-, 4-nitrophenyl ester is 334.08 g/mol.
Where can I buy Benzenecarboximidothioic acid, N-phenyl-, 4-nitrophenyl ester?
You can request a quote for Benzenecarboximidothioic acid, N-phenyl-, 4-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarboximidothioic acid, N-phenyl-, 4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarboximidothioic acid, N-phenyl-, 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.