AC1LYP3L structure

AC1LYP3L

(E)-3-(3,5-dimethylanilino)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Also Known As: (E)-3-((3,5-dimethylphenyl)amino)-2-(4-(2,4-dimethylphenyl)thiazol-2-yl)acrylonitrile|(2E)-3-[(3,5-dimethylphenyl)amino]-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile|(E)-3-(3,5-dimethylanilino)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

CAS: 373375-09-8
Molecular Formula C22H21N3S
Molecular Weight 359.14563 g/mol
LogP 6.02036
Topological Polar Surface Area 48.71 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 359.14563
Monoisotopic Mass 359.14563
Heavy Atoms 26
Complexity 1001.8569

Chemical Identifiers

CAS Number 373375-09-8
SMILES CC1=CC(=C(C=C1)C2=CSC(=N2)/C(=C/NC3=CC(=CC(=C3)C)C)/C#N)C

Product Overview

AC1LYP3L (CAS 373375-09-8), with molecular formula C22H21N3S and molecular weight 359.14563 g/mol. IUPAC: (E)-3-(3,5-dimethylanilino)-2-[4-(2,4-dimethylphenyl)-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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