3-({[(3-Iodophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid structure

3-({[(3-Iodophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid

3-[(3-iodobenzoyl)carbamothioylamino]-4-methylbenzoic acid

Also Known As: 3-(3-(3-iodobenzoyl)thioureido)-4-methylbenzoic acid|3-({[(3-iodophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid|3-[(3-iodobenzoyl)carbamothioylamino]-4-methylbenzoic acid|3-[(3-iodobenzoyl)thiocarbamoylamino]-4-methyl-benzoic Acid

CAS: 433972-95-3
Molecular Formula C16H13IN2O3S
Molecular Weight 439.96915 g/mol
LogP 3.42462
Topological Polar Surface Area 78.43 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
Rotatable Bonds 3
Exact Mass 439.96915
Monoisotopic Mass 439.96915
Heavy Atoms 23
Complexity 792.64484

Chemical Identifiers

CAS Number 433972-95-3
SMILES CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=CC=C2)I

Product Overview

3-({[(3-Iodophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid (CAS 433972-95-3), with molecular formula C16H13IN2O3S and molecular weight 439.96915 g/mol. IUPAC: 3-[(3-iodobenzoyl)carbamothioylamino]-4-methylbenzoic acid.

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