AC1O3YQD structure

AC1O3YQD

(E)-3-(5-chloro-2-methylanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Also Known As: AB00685644-01|(E)-3-((5-chloro-2-methylphenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile|(2E)-3-[(5-chloro-2-methylphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile|F1110-0328|(E)-3-(5-chloro-2-methylanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

CAS: 683258-02-8
Molecular Formula C19H13ClN4O2S
Molecular Weight 396.04477 g/mol
LogP 5.6567
Topological Polar Surface Area 91.85 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 396.04477
Monoisotopic Mass 396.04477
Heavy Atoms 27
Complexity 1068.0588

Chemical Identifiers

CAS Number 683258-02-8
SMILES CC1=C(C=C(C=C1)Cl)N/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

Product Overview

AC1O3YQD (CAS 683258-02-8), with molecular formula C19H13ClN4O2S and molecular weight 396.04477 g/mol. IUPAC: (E)-3-(5-chloro-2-methylanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.

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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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