AC1NIYIS structure

AC1NIYIS

[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate

Also Known As: [(1,1-dioxo-1lambda6-thiolan-3-yl)(methyl)carbamoyl]methyl 3,4,5,6-tetrachloropyridine-2-carboxylate|[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate|[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl] 3,4,5,6-tetrakis(chloranyl)pyridine-2-carboxylate|3,4,5,6-tetrachloro-2-pyridinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester|3,4,5,6-tetrachloropicolinic acid [2-[(1,1-diketothiolan-3-yl)-methyl-amino]-2-keto-ethyl] ester

CAS: 796085-76-2
Molecular Formula C13H12Cl4N2O5S
Molecular Weight 447.9221 g/mol
LogP 2.4975
Topological Polar Surface Area 93.64 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 447.9221
Monoisotopic Mass 449.91916
Heavy Atoms 25
Complexity 830.19855

Chemical Identifiers

CAS Number 796085-76-2
SMILES CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=NC(=C(C(=C2Cl)Cl)Cl)Cl

Product Overview

AC1NIYIS (CAS 796085-76-2), with molecular formula C13H12Cl4N2O5S and molecular weight 447.9221 g/mol. IUPAC: [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate.

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