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Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]- structure
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Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]-

TL;DR: Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]- (CAS 111752-78-4) is a chemical compound with molecular formula C16H16N2OS and molecular weight 284.09833 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N-(1-phenylethylcarbamothioyl)benzamide

Also Known As: N-(1-phenylethylcarbamothioyl)benzamide, N-benzoyl-N'-(1-phenylethyl)thiourea, Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]-, N-[(1-phenylethyl)carbamothioyl]benzamide, N-((1-Phenylethyl)carbamothioyl)benzamide

CAS Number
111752-78-4
Molecular Formula
C16H16N2OS
Molecular Weight
284.09833 g/mol
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Technical Specifications

Molecular FormulaC16H16N2OS
Molecular Weight284.09833 g/mol
XLogP3.9
Topological Polar Surface Area (TPSA)73.2 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors2
Rotatable Bonds3
Exact Mass284.09833 Da
Heavy Atoms20
Complexity333.0
SMILESCC(C1=CC=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2
InChIKeyLFNTYAFRRGFAEV-UHFFFAOYSA-N

Chemical Property Profile of Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]-

XLogP
3.9
TPSA (Topological Polar Surface Area)
73.2
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
Rotatable Bonds
3
Heavy Atoms
20
Complexity
333.0
Exact Mass
284.09833
Monoisotopic Mass
284.09833
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]-

The XLogP value of 3.9 indicates that Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]-. Following Lipinski's Rule of Five, Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]-?

The CAS number of Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]- is 111752-78-4.

What is the molecular formula of Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]-?

The molecular formula of Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]- is C16H16N2OS.

What is the molecular weight of Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]-?

The molecular weight of Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]- is 284.09833 g/mol.

Where can I buy Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]-?

You can request a quote for Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]-?

Yes, CoreyChem provides custom synthesis services for Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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