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Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, methyl ester
TL;DR: Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, methyl ester (CAS 101414-55-5) is a chemical compound with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(4-nitrophenyl)sulfanylbenzenecarboximidate
Also Known As: methyl N-(4-nitrophenyl)sulfanylbenzenecarboximidate, Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, methyl ester, methyl N-(p-nitrophenylthio)benzenecarboximidate, methyl N-[(4-nitrophenyl)sulfanyl]benzenecarboximidate, N-(methoxy-phenyl-methylidene)-4-nitro-benzenesulfenamide
| Molecular Formula | C14H12N2O3S |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 3.6951 |
| Topological Polar Surface Area | 64.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.05685 |
| Heavy Atoms | 20 |
| Complexity | 612.076 |
Chemical Identifiers
| CAS Number | 101414-55-5 |
|---|---|
| SMILES | COC(=NSC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2 |
Product Overview
Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, methyl ester (CAS 101414-55-5), with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol. IUPAC: methyl N-(4-nitrophenyl)sulfanylbenzenecarboximidate.
Chemical Property Profile of Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, methyl ester
Property Insights of Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, methyl ester
The XLogP value of 3.6951 indicates that Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, methyl ester. Following Lipinski's Rule of Five, Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, methyl ester has 0 hydrogen bond donor(s) and 5 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 Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, methyl ester?
The CAS number of Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, methyl ester is 101414-55-5.
What is the molecular formula of Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, methyl ester?
The molecular formula of Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, methyl ester is C14H12N2O3S.
What is the molecular weight of Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, methyl ester?
The molecular weight of Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, methyl ester is 288.06 g/mol.
Where can I buy Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, methyl ester?
You can request a quote for Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.