AC1NQK9U structure

AC1NQK9U

5-chloro-2-nitro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide

Also Known As: F1365-1268|(Z)-N-(3-allyl-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)-5-chloro-2-nitrobenzamide|5-chloro-2-nitro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide|5-chloro-2-nitro-N-[(2Z)-3-(prop-2-en-1-yl)-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide|5-chloro-2-nitro-N-(3-prop-2-enyl-6-sulfamoyl-benzothiazol-2-ylidene)benzamide|(Z)-3-allyl-2-(5-chloro-2-nitrobenzoylimino)-2,3-dihydro-1,3-benzothiazol-6-yl(amino)(oxo)-lambda-sulfaniumolate

CAS: 6274-91-5
Molecular Formula C17H13ClN4O5S2
Molecular Weight 452.0016 g/mol
LogP 2.8389
Topological Polar Surface Area 137.66 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 452.0016
Monoisotopic Mass 452.0016
Heavy Atoms 29
Complexity 1341.5974

Chemical Identifiers

CAS Number 6274-91-5
SMILES C=CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Product Overview

AC1NQK9U (CAS 6274-91-5), with molecular formula C17H13ClN4O5S2 and molecular weight 452.0016 g/mol. IUPAC: 5-chloro-2-nitro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide.

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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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