sulfinpyrazone

4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione

CAS: 57-96-5

Molecular Formula	`C23H20N2O3S`
Molecular Weight	404.5 g/mol
LogP	2.3
Topological Polar Surface Area	76.9 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	404.11948
Heavy Atoms	29
Complexity	571.0

Chemical Identifiers

CAS Number	57-96-5
SMILES	`C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)C4=CC=CC=C4`
InChIKey	`MBGGBVCUIVRRBF-UHFFFAOYSA-N`

📖 Product Overview

sulfinpyrazone (CAS: 57-96-5) is a chemical compound with molecular formula C23H20N2O3S and molecular weight 404.5 g/mol. Its IUPAC systematic name is 4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione. LogP 2.3 Topological Polar Surface Area 76.9 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 6 Exact Mass 404.11948 Heavy Atoms 29 Complexity 571.0 InChI Key: MBGGBVCUIVRRBF-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)C4=CC=CC=C4.

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