AC1LXTCE structure

AC1LXTCE

4-[[(E)-2-cyano-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

Also Known As: (E)-4-((2-cyano-2-(4-(4-methoxyphenyl)thiazol-2-yl)vinyl)amino)-N-(thiazol-2-yl)benzenesulfonamide|4-({(E)-2-cyano-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl}amino)-N-(1,3-thiazol-2-yl)benzenesulfonamide|4-({2-cyano-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]vinyl}amino)-N-1,3-thiazol-2-ylbenzenesulfonamide|4-[[(E)-2-cyano-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

CAS: 418802-30-9
Molecular Formula C22H17N5O3S3
Molecular Weight 495.04935 g/mol
LogP 5.05258
Topological Polar Surface Area 117.0 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 9
Rotatable Bonds 8
Exact Mass 495.04935
Monoisotopic Mass 495.04935
Heavy Atoms 33
Complexity 1403.4495

Chemical Identifiers

CAS Number 418802-30-9
SMILES COC1=CC=C(C=C1)C2=CSC(=N2)/C(=C/NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)/C#N

Product Overview

AC1LXTCE (CAS 418802-30-9), with molecular formula C22H17N5O3S3 and molecular weight 495.04935 g/mol. IUPAC: 4-[[(E)-2-cyano-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

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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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