Pergafast 201
Synonyms: "Pergafast 201"
Source: Pergafast 201 is an alternative for bisphenol A in thermal paper.
Identifiers:
IUPAC Name: [3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate
CAS Number: 232938-43-1
PubChem ID: 22035425
InChiKey: HEVGMYPGMWZOBU-UHFFFAOYSA-N
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C
Structural Properties:
Molecular Formula: C21H20N2O6S2
Molecular Weight: 460.5
Pharmacophore Features:
Number of bond donors: 2
Number of bond acceptors: 6
Number of atoms different from hydrogen: 31
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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)
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Evidence Supporting This Chemical as an Emerging Contaminant
Bj?rnsdotter, M. K., de Boer, J., & Ballesteros-G?mez, A. (2017). Bisphenol A and replacements in thermal paper: A review. Chemosphere, 182, 691-706.