4-Methyl-3-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid structure

4-Methyl-3-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid

4-methyl-3-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid

Also Known As: 4-METHYL-3-[[[[3- BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID|4-methyl-3-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid|4-methyl-3-[[3-(phenoxymethyl)benzoyl]thiocarbamoylamino]benzoic Acid|4-Methyl-3-[[[[3-(phenoxymethyl)benzoyl ]amino]thioxomethyl ]amino]-benzoic acid

CAS: 530140-68-2
Molecular Formula C23H20N2O4S
Molecular Weight 420.11438 g/mol
LogP 4.39902
Topological Polar Surface Area 87.66 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
Rotatable Bonds 6
Exact Mass 420.11438
Monoisotopic Mass 420.11438
Heavy Atoms 30
Complexity 1083.571

Chemical Identifiers

CAS Number 530140-68-2
SMILES CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=CC(=C2)COC3=CC=CC=C3

Product Overview

4-Methyl-3-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid (CAS 530140-68-2), with molecular formula C23H20N2O4S and molecular weight 420.11438 g/mol. IUPAC: 4-methyl-3-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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4-Methyl-3-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.

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