AC1O1SQ7
3-[[(E)-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-2-methylbenzoic acid
Also Known As: 3-[3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-methyl-benzoic Acid|BENZOICACID,3-[[[[3- -1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-|3-[[(E)-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-2-methylbenzoic acid
CAS: 530146-60-2
| Molecular Formula | C19H16Br2N2O4S |
|---|---|
| Molecular Weight | 525.91974 g/mol |
| LogP | 4.75322 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 525.91974 |
| Monoisotopic Mass | 527.9177 |
| Heavy Atoms | 28 |
| Complexity | 976.64624 |
Chemical Identifiers
| CAS Number | 530146-60-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=S)NC(=O)/C=C/C2=C(C(=CC(=C2)Br)Br)OC)C(=O)O |
Product Overview
AC1O1SQ7 (CAS 530146-60-2), with molecular formula C19H16Br2N2O4S and molecular weight 525.91974 g/mol. IUPAC: 3-[[(E)-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-2-methylbenzoic acid.
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.
View MSDS →
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