AC1NXNK9 structure

AC1NXNK9

4-[(4-iodophenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-1H-pyrazol-3-one

Also Known As: KS-00004BNH|BAS 00469314|(4E)-4-[2-(4-IODOPHENYL)HYDRAZIN-1-YLIDENE]-1-[4-(4-METHOXYPHENYL)-1,3-THIAZOL-2-YL]-3-(4-NITROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-5-ONE|4-[(4-iodophenyl)hydrazono]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one|(4E)-4-[(4-iodophenyl)hydrazinylidene]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)pyrazol-3-one|(4Z)-4-[(4-iodophenyl)hydrazinylidene]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)pyrazol-3-one|(4Z)-4-[2-(4-iodophenyl)hydrazinylidene]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one|4-[(4-iodophenyl)hydrazinylidene]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)pyrazol-3-one

CAS: 314293-29-3
Molecular Formula C25H17IN6O4S
Molecular Weight 624.0077 g/mol
LogP 6.8929
Topological Polar Surface Area 127.77 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
Rotatable Bonds 7
Exact Mass 624.0077
Monoisotopic Mass 624.0077
Heavy Atoms 37
Complexity 1655.5901

Chemical Identifiers

CAS Number 314293-29-3
SMILES COC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=C(N3)C4=CC=C(C=C4)[N+](=O)[O-])N=NC5=CC=C(C=C5)I

Product Overview

AC1NXNK9 (CAS 314293-29-3), with molecular formula C25H17IN6O4S and molecular weight 624.0077 g/mol. IUPAC: 4-[(4-iodophenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-1H-pyrazol-3-one.

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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.
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