AC1NY5BI
(E)-3-(3-chlorophenyl)-2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)prop-2-enenitrile
Also Known As: BAS 02171785|(2E)-3-(3-CHLOROPHENYL)-2-{4H,5H-NAPHTHO[1,2-D][1,3]THIAZOL-2-YL}PROP-2-ENENITRILE|(E)-3-(3-chlorophenyl)-2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)prop-2-enenitrile|3-(3-Chloro-phenyl)-2-(4,5-dihydro-naphtho[1,2-d]thiazol-2-yl)-acrylonitrile
CAS: 333319-18-9
| Molecular Formula | C20H13ClN2S |
|---|---|
| Molecular Weight | 348.0488 g/mol |
| LogP | 5.62628 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.0488 |
| Monoisotopic Mass | 348.0488 |
| Heavy Atoms | 24 |
| Complexity | 994.8686 |
Chemical Identifiers
| CAS Number | 333319-18-9 |
|---|---|
| SMILES | C1CC2=C(C3=CC=CC=C31)N=C(S2)/C(=C/C4=CC(=CC=C4)Cl)/C#N |
Product Overview
AC1NY5BI (CAS 333319-18-9), with molecular formula C20H13ClN2S and molecular weight 348.0488 g/mol. IUPAC: (E)-3-(3-chlorophenyl)-2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)prop-2-enenitrile.
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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